1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene

C8H6N2 — CID 153452639

IUPAC1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene
SMILESc1ccn2c3c(nc2c1)C3
InChIInChI=1S/C8H6N2/c1-2-4-10-7-5-6(7)9-8(10)3-1/h1-4H,5H2
InChIKeyKNJFLOOJRIFKMG-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.24
Rot. Bonds

About 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene

1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene (PubChem CID 153452639) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene.

Molecular Properties

Compound Name1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene
PubChem CID153452639
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene
SMILESc1ccn2c3c(nc2c1)C3
InChIInChI=1S/C8H6N2/c1-2-4-10-7-5-6(7)9-8(10)3-1/h1-4H,5H2
InChIKeyKNJFLOOJRIFKMG-UHFFFAOYSA-N
XLogP1.24
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene 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

1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 82411596
4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403194
4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403204
4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403178
8-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403192
1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 523987
6,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403169
(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110872524
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110872518
1,3-benzodioxol-5-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110867078
3-isocyano-2-methylimidazo[1,2-a]pyridine
CID 167583216

Frequently Asked Questions

What is the IUPAC name of 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene?
The IUPAC name of 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene (CID 153452639) is 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene.
What is the SMILES notation for 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene?
The canonical SMILES for 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene is c1ccn2c3c(nc2c1)C3.
What is the InChIKey of 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene?
The InChIKey is KNJFLOOJRIFKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-10-7-5-6(7)9-8(10)3-1/h1-4H,5H2.
What are the key properties of 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene?
1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene has a molecular weight of 130.15 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazatricyclo[4.4.0.02,4]deca-2(4),5,7,9-tetraene is sourced from PubChem (CID 153452639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).