8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C12H10ClN5 — CID 134356282

IUPAC8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESClc1nccn2nc(NC3=CC=CCC=C3)nc12
InChIInChI=1S/C12H10ClN5/c13-10-11-16-12(17-18(11)8-7-14-10)15-9-5-3-1-2-4-6-9/h1,3-8H,2H2,(H,15,17)
InChIKeyHQPLICMZYGJYPL-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.59
Rot. Bonds2

About 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 134356282) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID134356282
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESClc1nccn2nc(NC3=CC=CCC=C3)nc12
InChIInChI=1S/C12H10ClN5/c13-10-11-16-12(17-18(11)8-7-14-10)15-9-5-3-1-2-4-6-9/h1,3-8H,2H2,(H,15,17)
InChIKeyHQPLICMZYGJYPL-UHFFFAOYSA-N
XLogP2.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-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 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 134356282) is 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Clc1nccn2nc(NC3=CC=CCC=C3)nc12.
What is the InChIKey of 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is HQPLICMZYGJYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c13-10-11-16-12(17-18(11)8-7-14-10)15-9-5-3-1-2-4-6-9/h1,3-8H,2H2,(H,15,17).
What are the key properties of 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 259.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 134356282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).