2-methyl-6-(1,2,4-triazol-1-yl)pyrazine

C7H7N5 — CID 89065756

IUPAC2-methyl-6-(1,2,4-triazol-1-yl)pyrazine
SMILESCc1cncc(-n2cncn2)n1
InChIInChI=1S/C7H7N5/c1-6-2-8-3-7(11-6)12-5-9-4-10-12/h2-5H,1H3
InChIKeyYZHQSHZWNDUGRZ-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.37
Rot. Bonds1

About 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine

2-methyl-6-(1,2,4-triazol-1-yl)pyrazine (PubChem CID 89065756) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-methyl-6-(1,2,4-triazol-1-yl)pyrazine
PubChem CID89065756
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-methyl-6-(1,2,4-triazol-1-yl)pyrazine
SMILESCc1cncc(-n2cncn2)n1
InChIInChI=1S/C7H7N5/c1-6-2-8-3-7(11-6)12-5-9-4-10-12/h2-5H,1H3
InChIKeyYZHQSHZWNDUGRZ-UHFFFAOYSA-N
XLogP0.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazine, 6-methyl-
CID 140809
6-(1,2,4-Triazol-1-yl)pyrazine-2-carbonitrile
CID 479372
6-(1,2,4-Triazol-1-yl)pyrazine-2-carbothioamide
CID 3000616
3,4-Dimethylimidazo[2,1-c][1,2,4]triazine
CID 13011559
N-Hydroxy-6-[1,2,4]triazol-1-yl-pyrazine-2-carboxamidine
CID 135508900
2-methyl-3-(1H-1,2,4-triazol-1-yl)pyrazine
CID 83066557
3,6-Dimethyl-1,2,4-triazine
CID 22151763
3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine
CID 91662130
5-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777181
2-(Difluoromethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-alpha]pyrazine
CID 69361700
6-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 69520409
3-(Difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine (CID 89065756) is 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine is Cc1cncc(-n2cncn2)n1.
What is the InChIKey of 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine?
The InChIKey is YZHQSHZWNDUGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-6-2-8-3-7(11-6)12-5-9-4-10-12/h2-5H,1H3.
What are the key properties of 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine?
2-methyl-6-(1,2,4-triazol-1-yl)pyrazine has a molecular weight of 161.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 89065756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).