1,3,5-triazacyclohepta-1,3,4,6-tetraene

C4H3N3 — CID 91325987

IUPAC1,3,5-triazacyclohepta-1,3,4,6-tetraene
SMILESC1=NC=CN=CN=1
InChIInChI=1S/C4H3N3/c1-2-6-4-7-3-5-1/h1-3H
InChIKeyVQAXAUOXTSWBRS-UHFFFAOYSA-N
MW93.09 g/mol
LogP0.67
Rot. Bonds

About 1,3,5-triazacyclohepta-1,3,4,6-tetraene

1,3,5-triazacyclohepta-1,3,4,6-tetraene (PubChem CID 91325987) has the molecular formula C4H3N3 and a molecular weight of 93.09 g/mol. Its IUPAC name is 1,3,5-triazacyclohepta-1,3,4,6-tetraene.

Molecular Properties

Compound Name1,3,5-triazacyclohepta-1,3,4,6-tetraene
PubChem CID91325987
Molecular FormulaC4H3N3
Molecular Weight93.09 g/mol
Exact Mass93.03
IUPAC Name1,3,5-triazacyclohepta-1,3,4,6-tetraene
SMILESC1=NC=CN=CN=1
InChIInChI=1S/C4H3N3/c1-2-6-4-7-3-5-1/h1-3H
InChIKeyVQAXAUOXTSWBRS-UHFFFAOYSA-N
XLogP0.67
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.09
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3,5-triazacyclohepta-1,3,4,6-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 1,3,5-triazacyclohepta-1,3,4,6-tetraene?
The IUPAC name of 1,3,5-triazacyclohepta-1,3,4,6-tetraene (CID 91325987) is 1,3,5-triazacyclohepta-1,3,4,6-tetraene.
What is the SMILES notation for 1,3,5-triazacyclohepta-1,3,4,6-tetraene?
The canonical SMILES for 1,3,5-triazacyclohepta-1,3,4,6-tetraene is C1=NC=CN=CN=1.
What is the InChIKey of 1,3,5-triazacyclohepta-1,3,4,6-tetraene?
The InChIKey is VQAXAUOXTSWBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3/c1-2-6-4-7-3-5-1/h1-3H.
What are the key properties of 1,3,5-triazacyclohepta-1,3,4,6-tetraene?
1,3,5-triazacyclohepta-1,3,4,6-tetraene has a molecular weight of 93.09 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazacyclohepta-1,3,4,6-tetraene is sourced from PubChem (CID 91325987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).