2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine

C9H10ClN5 — CID 62480993

IUPAC2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine
SMILESCc1cc(-n2nc(C)nc2C)nc(Cl)n1
InChIInChI=1S/C9H10ClN5/c1-5-4-8(13-9(10)11-5)15-7(3)12-6(2)14-15/h4H,1-3H3
InChIKeyXCKNFCQRHMRZNR-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.64
Rot. Bonds1

About 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine

2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine (PubChem CID 62480993) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine
PubChem CID62480993
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine
SMILESCc1cc(-n2nc(C)nc2C)nc(Cl)n1
InChIInChI=1S/C9H10ClN5/c1-5-4-8(13-9(10)11-5)15-7(3)12-6(2)14-15/h4H,1-3H3
InChIKeyXCKNFCQRHMRZNR-UHFFFAOYSA-N
XLogP1.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine (CID 62480993) is 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine is Cc1cc(-n2nc(C)nc2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine?
The InChIKey is XCKNFCQRHMRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-4-8(13-9(10)11-5)15-7(3)12-6(2)14-15/h4H,1-3H3.
What are the key properties of 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine?
2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine has a molecular weight of 223.67 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 62480993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).