1,5,8-Triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
- Iupac Name:1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
- CAS No.: 1367912-79-5
- Molecular Weight:173.21
- Modify Date.: 2020-09-20 18:28
1. Names and Identifiers
- 1.1 Name
- 1,5,8-Triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
- 1.2 CAS No.
- 1367912-79-5
- 1.3 CID
- 82411596
- 1.4 Molecular Formula
- C10H11N3 (isomer)
- 1.5 Inchi
- InChI=1S/C10H11N3/c1-2-6-13-9-4-5-11-7-8(9)12-10(13)3-1/h1-3,6,11H,4-5,7H2
- 1.6 InChIkey
- CHDHFHGNWMXANM-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- C1CNCC2=C1N3C=CC=CC3=N2
- 1.8 Isomers Smiles
- C1CNCC2=C1N3C=CC=CC3=N2
2. Computational chemical data
- Molecular Weight: 173.21g/mol
- Molecular Formula: C10H11N3
- Compound Is Canonicalized: True
- XLogP3-AA: 1.2
- Exact Mass: 173.095297364
- Monoisotopic Mass: 173.095297364
- Complexity: 195
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 29.3
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB4AAAHAAQAAAACAjBFwQ9sJ/MGACgATZnZACCgC0xEqAJ2KA4dJiIaOLA2ZGUIAhokALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
3. Recommended Suppliers
4. Realated Product Infomation
-
1263285-23-9
6-chloro-3,5,8,11-tetraazatricyclo[7.4.0.02,]trideca-1(9),2(7),3,5,10,12-hexaene
-
126718-85-2
11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol
-
57566-47-9
(3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene
-
869802-57-3
5-Cycloheptyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
-
477868-74-9
Ethyl (1E)-N-(4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carbonyl)methanehydrazonate
-
2207569-08-0
3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
-
245329-99-1
N-(6-Methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)pyridine-4-carboxamide