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

C7H7N5 — CID 102443825

IUPAC2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCc1ncn(-c2ncccn2)n1
InChIInChI=1S/C7H7N5/c1-6-10-5-12(11-6)7-8-3-2-4-9-7/h2-5H,1H3
InChIKeyQXIQARCQROREID-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.37
Rot. Bonds1

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

2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine (PubChem CID 102443825) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine
PubChem CID102443825
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCc1ncn(-c2ncccn2)n1
InChIInChI=1S/C7H7N5/c1-6-10-5-12(11-6)7-8-3-2-4-9-7/h2-5H,1H3
InChIKeyQXIQARCQROREID-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine (CID 102443825) is 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine is Cc1ncn(-c2ncccn2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is QXIQARCQROREID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-6-10-5-12(11-6)7-8-3-2-4-9-7/h2-5H,1H3.
What are the key properties of 2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine?
2-(3-methyl-1,2,4-triazol-1-yl)pyrimidine 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-(3-methyl-1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 102443825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).