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

C9H10ClN5 — CID 62481745

IUPAC4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C9H10ClN5/c1-5-12-8(10)4-9(13-5)15-7(3)11-6(2)14-15/h4H,1-3H3
InChIKeyWUSNGPFNMLRPKX-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.64
Rot. Bonds1

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

4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine (PubChem CID 62481745) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine
PubChem CID62481745
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C9H10ClN5/c1-5-12-8(10)4-9(13-5)15-7(3)11-6(2)14-15/h4H,1-3H3
InChIKeyWUSNGPFNMLRPKX-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine (CID 62481745) is 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine is Cc1nc(Cl)cc(-n2nc(C)nc2C)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine?
The InChIKey is WUSNGPFNMLRPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5-12-8(10)4-9(13-5)15-7(3)11-6(2)14-15/h4H,1-3H3.
What are the key properties of 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine?
4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-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 4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 62481745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).