2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine

C7H6ClN5 — CID 30032568

IUPAC2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCc1nc(Cl)n(-c2ncccn2)n1
InChIInChI=1S/C7H6ClN5/c1-5-11-6(8)13(12-5)7-9-3-2-4-10-7/h2-4H,1H3
InChIKeyFCPKFOWJJPBYEC-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.02
Rot. Bonds1

About 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine

2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine (PubChem CID 30032568) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine
PubChem CID30032568
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCc1nc(Cl)n(-c2ncccn2)n1
InChIInChI=1S/C7H6ClN5/c1-5-11-6(8)13(12-5)7-9-3-2-4-10-7/h2-4H,1H3
InChIKeyFCPKFOWJJPBYEC-UHFFFAOYSA-N
XLogP1.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine (CID 30032568) is 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine is Cc1nc(Cl)n(-c2ncccn2)n1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is FCPKFOWJJPBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c1-5-11-6(8)13(12-5)7-9-3-2-4-10-7/h2-4H,1H3.
What are the key properties of 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine?
2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 195.61 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 30032568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).