2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine

C9H8N6 — CID 139908093

IUPAC2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
SMILESNc1ccc2nc(N)c3cncn3c2n1
InChIInChI=1S/C9H8N6/c10-7-2-1-5-9(14-7)15-4-12-3-6(15)8(11)13-5/h1-4H,(H2,10,14)(H2,11,13)
InChIKeyNDOLJVGMIHNFMN-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.44
Rot. Bonds

About 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine

2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine (PubChem CID 139908093) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine.

Molecular Properties

Compound Name2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
PubChem CID139908093
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
SMILESNc1ccc2nc(N)c3cncn3c2n1
InChIInChI=1S/C9H8N6/c10-7-2-1-5-9(14-7)15-4-12-3-6(15)8(11)13-5/h1-4H,(H2,10,14)(H2,11,13)
InChIKeyNDOLJVGMIHNFMN-UHFFFAOYSA-N
XLogP0.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-amino-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-12-carboxylate
CID 171487720
4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 171783411
1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
CID 123371321
7-fluoro-8-N-methylimidazo[1,5-a]quinoxaline-4,8-diamine
CID 145005250
2,6-diaminopyridine-3-carbaldehyde
CID 10877178
7,10-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 90955504
4-amino-N-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 176723151
4-amino-N-methyl-N-[(3R)-6-(pentafluoro-λ6-sulfanyl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 176723152
6-(oxolan-3-yloxy)imidazo[1,5-a]quinoxalin-4-amine
CID 54314829
2-[[7-(2,6-dimethylanilino)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-12-yl]-methylamino]ethanol
CID 19605667
3-cyclopropyltriazolo[4,5-b]pyridin-5-amine
CID 84655218
10-(2-chloro-6-methylphenyl)-12-N-(2,2-dimethoxyethyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 54421199

Frequently Asked Questions

What is the IUPAC name of 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine?
The IUPAC name of 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine (CID 139908093) is 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine.
What is the SMILES notation for 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine?
The canonical SMILES for 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine is Nc1ccc2nc(N)c3cncn3c2n1.
What is the InChIKey of 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine?
The InChIKey is NDOLJVGMIHNFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c10-7-2-1-5-9(14-7)15-4-12-3-6(15)8(11)13-5/h1-4H,(H2,10,14)(H2,11,13).
What are the key properties of 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine?
2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine has a molecular weight of 200.21 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine is sourced from PubChem (CID 139908093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).