3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

C8H10N4 — CID 58783631

IUPAC3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2cnccn12
InChIInChI=1S/C8H10N4/c1-6(2)8-11-10-7-5-9-3-4-12(7)8/h3-6H,1-2H3
InChIKeyVDJAARBKIUIFGZ-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.25
Rot. Bonds1

About 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 58783631) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID58783631
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1nnc2cnccn12
InChIInChI=1S/C8H10N4/c1-6(2)8-11-10-7-5-9-3-4-12(7)8/h3-6H,1-2H3
InChIKeyVDJAARBKIUIFGZ-UHFFFAOYSA-N
XLogP1.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine 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 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 58783631) is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)c1nnc2cnccn12.
What is the InChIKey of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VDJAARBKIUIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-6(2)8-11-10-7-5-9-3-4-12(7)8/h3-6H,1-2H3.
What are the key properties of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 162.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 58783631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).