6H-cyclohepta[e][1,2,4]triazin-3-amine

C8H8N4 — CID 91309672

IUPAC6H-cyclohepta[e][1,2,4]triazin-3-amine
SMILESNc1nnc2c(n1)=CCC=CC=2
InChIInChI=1S/C8H8N4/c9-8-10-6-4-2-1-3-5-7(6)11-12-8/h1,3-5H,2H2,(H2,9,10)
InChIKeyWKJUIMRTUXTAFX-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.03
Rot. Bonds

About 6H-cyclohepta[e][1,2,4]triazin-3-amine

6H-cyclohepta[e][1,2,4]triazin-3-amine (PubChem CID 91309672) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 6H-cyclohepta[e][1,2,4]triazin-3-amine.

Molecular Properties

Compound Name6H-cyclohepta[e][1,2,4]triazin-3-amine
PubChem CID91309672
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name6H-cyclohepta[e][1,2,4]triazin-3-amine
SMILESNc1nnc2c(n1)=CCC=CC=2
InChIInChI=1S/C8H8N4/c9-8-10-6-4-2-1-3-5-7(6)11-12-8/h1,3-5H,2H2,(H2,9,10)
InChIKeyWKJUIMRTUXTAFX-UHFFFAOYSA-N
XLogP-1.03
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6H-cyclohepta[e][1,2,4]triazin-3-amine 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 6H-cyclohepta[e][1,2,4]triazin-3-amine?
The IUPAC name of 6H-cyclohepta[e][1,2,4]triazin-3-amine (CID 91309672) is 6H-cyclohepta[e][1,2,4]triazin-3-amine.
What is the SMILES notation for 6H-cyclohepta[e][1,2,4]triazin-3-amine?
The canonical SMILES for 6H-cyclohepta[e][1,2,4]triazin-3-amine is Nc1nnc2c(n1)=CCC=CC=2.
What is the InChIKey of 6H-cyclohepta[e][1,2,4]triazin-3-amine?
The InChIKey is WKJUIMRTUXTAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8-10-6-4-2-1-3-5-7(6)11-12-8/h1,3-5H,2H2,(H2,9,10).
What are the key properties of 6H-cyclohepta[e][1,2,4]triazin-3-amine?
6H-cyclohepta[e][1,2,4]triazin-3-amine has a molecular weight of 160.18 g/mol, XLogP of -1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[e][1,2,4]triazin-3-amine is sourced from PubChem (CID 91309672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).