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

C13H14N6 — CID 58328691

IUPAC3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCNc1nnc2c(Nc3ccccc3C)nccn12
InChIInChI=1S/C13H14N6/c1-9-5-3-4-6-10(9)16-11-12-17-18-13(14-2)19(12)8-7-15-11/h3-8H,1-2H3,(H,14,18)(H,15,16)
InChIKeySOEGPVGOOPMQAF-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.22
Rot. Bonds3

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

3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 58328691) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID58328691
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCNc1nnc2c(Nc3ccccc3C)nccn12
InChIInChI=1S/C13H14N6/c1-9-5-3-4-6-10(9)16-11-12-17-18-13(14-2)19(12)8-7-15-11/h3-8H,1-2H3,(H,14,18)(H,15,16)
InChIKeySOEGPVGOOPMQAF-UHFFFAOYSA-N
XLogP2.22
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 58328691) is 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is CNc1nnc2c(Nc3ccccc3C)nccn12.
What is the InChIKey of 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is SOEGPVGOOPMQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-5-3-4-6-10(9)16-11-12-17-18-13(14-2)19(12)8-7-15-11/h3-8H,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 254.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 58328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).