3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H13N5 — CID 58328736

IUPAC3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1ccccc1Nc1nccn2c(C)nnc12
InChIInChI=1S/C13H13N5/c1-9-5-3-4-6-11(9)15-12-13-17-16-10(2)18(13)8-7-14-12/h3-8H,1-2H3,(H,14,15)
InChIKeyHJUSHIITGSXRKG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.48
Rot. Bonds2

About 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 58328736) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID58328736
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1ccccc1Nc1nccn2c(C)nnc12
InChIInChI=1S/C13H13N5/c1-9-5-3-4-6-11(9)15-12-13-17-16-10(2)18(13)8-7-14-12/h3-8H,1-2H3,(H,14,15)
InChIKeyHJUSHIITGSXRKG-UHFFFAOYSA-N
XLogP2.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 58328736) is 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1ccccc1Nc1nccn2c(C)nnc12.
What is the InChIKey of 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is HJUSHIITGSXRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-5-3-4-6-11(9)15-12-13-17-16-10(2)18(13)8-7-14-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 239.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 58328736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).