6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C9H12ClN5 — CID 139366152

IUPAC6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(Cl)cn12
InChIInChI=1S/C9H12ClN5/c1-5(2)11-8-9-14-13-6(3)15(9)4-7(10)12-8/h4-5H,1-3H3,(H,11,12)
InChIKeyCVHOOTMILHASCZ-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.91
Rot. Bonds2

About 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139366152) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139366152
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(Cl)cn12
InChIInChI=1S/C9H12ClN5/c1-5(2)11-8-9-14-13-6(3)15(9)4-7(10)12-8/h4-5H,1-3H3,(H,11,12)
InChIKeyCVHOOTMILHASCZ-UHFFFAOYSA-N
XLogP1.91
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-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 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139366152) is 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC(C)C)nc(Cl)cn12.
What is the InChIKey of 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is CVHOOTMILHASCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-5(2)11-8-9-14-13-6(3)15(9)4-7(10)12-8/h4-5H,1-3H3,(H,11,12).
What are the key properties of 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 225.68 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139366152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).