1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene

C10H12N4 — CID 175039772

IUPAC1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene
SMILESc1cc2c3c(c1)nnn3CCNCC2
InChIInChI=1S/C10H12N4/c1-2-8-4-5-11-6-7-14-10(8)9(3-1)12-13-14/h1-3,11H,4-7H2
InChIKeyHLTXPNHIZYFRNV-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.58
Rot. Bonds

About 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene

1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene (PubChem CID 175039772) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene.

Molecular Properties

Compound Name1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene
PubChem CID175039772
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene
SMILESc1cc2c3c(c1)nnn3CCNCC2
InChIInChI=1S/C10H12N4/c1-2-8-4-5-11-6-7-14-10(8)9(3-1)12-13-14/h1-3,11H,4-7H2
InChIKeyHLTXPNHIZYFRNV-UHFFFAOYSA-N
XLogP0.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene 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 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene?
The IUPAC name of 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene (CID 175039772) is 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene.
What is the SMILES notation for 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene?
The canonical SMILES for 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene is c1cc2c3c(c1)nnn3CCNCC2.
What is the InChIKey of 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene?
The InChIKey is HLTXPNHIZYFRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-8-4-5-11-6-7-14-10(8)9(3-1)12-13-14/h1-3,11H,4-7H2.
What are the key properties of 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene?
1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene has a molecular weight of 188.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,11-tetrazatricyclo[6.5.1.04,14]tetradeca-2,4,6,8(14)-tetraene is sourced from PubChem (CID 175039772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).