8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine

C9H9N3 — CID 141414595

IUPAC8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
SMILESNC12CC(=N1)c1ccccc1N2
InChIInChI=1S/C9H9N3/c10-9-5-8(12-9)6-3-1-2-4-7(6)11-9/h1-4,11H,5,10H2
InChIKeyWJRPTHCCZIAOIU-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.92
Rot. Bonds

About 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine

8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine (PubChem CID 141414595) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine.

Molecular Properties

Compound Name8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
PubChem CID141414595
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
SMILESNC12CC(=N1)c1ccccc1N2
InChIInChI=1S/C9H9N3/c10-9-5-8(12-9)6-3-1-2-4-7(6)11-9/h1-4,11H,5,10H2
InChIKeyWJRPTHCCZIAOIU-UHFFFAOYSA-N
XLogP0.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1H-quinazoline-2,4-diamine
CID 129165867
2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride
CID 67569975
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
CID 67568659
2-butan-2-yl-1H-quinazoline-2,4-diamine
CID 172826248
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10859364
4-methyl-2,2-diphenyl-1H-quinoline
CID 15834052
2-amino-4-(4-methoxy-N-methylanilino)-1H-quinazolin-2-ol
CID 154341225
1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10970331
[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol
CID 171058877
1'-methyl-4-methylidenespiro[1,3-dihydroquinoline-2,4'-piperidine]
CID 142044677

Frequently Asked Questions

What is the IUPAC name of 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine?
The IUPAC name of 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine (CID 141414595) is 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine.
What is the SMILES notation for 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine?
The canonical SMILES for 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine is NC12CC(=N1)c1ccccc1N2.
What is the InChIKey of 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine?
The InChIKey is WJRPTHCCZIAOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-9-5-8(12-9)6-3-1-2-4-7(6)11-9/h1-4,11H,5,10H2.
What are the key properties of 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine?
8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine has a molecular weight of 159.19 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine is sourced from PubChem (CID 141414595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).