2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine

C10H7N3 — CID 142430074

IUPAC2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine
SMILES[H]/N=c1\cc2ncc3cc[nH]c(c1)c32
InChIInChI=1S/C10H7N3/c11-7-3-8-10-6(1-2-12-8)5-13-9(10)4-7/h1-5,11-12H/b11-7-
InChIKeyAFBQPKUDOJVNIS-XFFZJAGNSA-N
MW169.19 g/mol
LogP1.63
Rot. Bonds

About 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine

2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine (PubChem CID 142430074) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine.

Molecular Properties

Compound Name2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine
PubChem CID142430074
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine
SMILES[H]/N=c1\cc2ncc3cc[nH]c(c1)c32
InChIInChI=1S/C10H7N3/c11-7-3-8-10-6(1-2-12-8)5-13-9(10)4-7/h1-5,11-12H/b11-7-
InChIKeyAFBQPKUDOJVNIS-XFFZJAGNSA-N
XLogP1.63
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine?
The IUPAC name of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine (CID 142430074) is 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine.
What is the SMILES notation for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine?
The canonical SMILES for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine is [H]/N=c1\cc2ncc3cc[nH]c(c1)c32.
What is the InChIKey of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine?
The InChIKey is AFBQPKUDOJVNIS-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H7N3/c11-7-3-8-10-6(1-2-12-8)5-13-9(10)4-7/h1-5,11-12H/b11-7-.
What are the key properties of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine?
2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine has a molecular weight of 169.19 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine is sourced from PubChem (CID 142430074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).