2-(1-methyl-1,2,4-triazol-3-yl)pyrazine

C7H7N5 — CID 11252170

IUPAC2-(1-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCn1cnc(-c2cnccn2)n1
InChIInChI=1S/C7H7N5/c1-12-5-10-7(11-12)6-4-8-2-3-9-6/h2-5H,1H3
InChIKeyMQBZTIXNJYGJDE-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.27
Rot. Bonds1

About 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine

2-(1-methyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 11252170) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID11252170
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-(1-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCn1cnc(-c2cnccn2)n1
InChIInChI=1S/C7H7N5/c1-12-5-10-7(11-12)6-4-8-2-3-9-6/h2-5H,1H3
InChIKeyMQBZTIXNJYGJDE-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
CID 57170188
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
2-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-pyrazine
CID 655445
6,7,8,9-Tetrahydro-3-(2-pyrazinyl)-5H-1,2,4-triazolo[4,3-a]azepine
CID 2331358
N-Hydroxy-6-[1,2,4]triazol-1-yl-pyrazine-2-carboxamidine
CID 135508900
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
2-Methyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12259248
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
2-methyl-3-(1H-1,2,4-triazol-1-yl)pyrazine
CID 83066557
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
2-(1H-1,2,3-triazol-5-yl)Pyrimidine
CID 9942181
2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine (CID 11252170) is 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine is Cn1cnc(-c2cnccn2)n1.
What is the InChIKey of 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is MQBZTIXNJYGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-5-10-7(11-12)6-4-8-2-3-9-6/h2-5H,1H3.
What are the key properties of 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine?
2-(1-methyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 161.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 11252170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).