5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine

C10H11ClN4 — CID 63385116

IUPAC5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine
SMILESCc1ccc(Cn2c(C)nnc2Cl)cn1
InChIInChI=1S/C10H11ClN4/c1-7-3-4-9(5-12-7)6-15-8(2)13-14-10(15)11/h3-5H,6H2,1-2H3
InChIKeyJGFKMCCFLDFBCI-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.99
Rot. Bonds2

About 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine

5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine (PubChem CID 63385116) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine
PubChem CID63385116
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine
SMILESCc1ccc(Cn2c(C)nnc2Cl)cn1
InChIInChI=1S/C10H11ClN4/c1-7-3-4-9(5-12-7)6-15-8(2)13-14-10(15)11/h3-5H,6H2,1-2H3
InChIKeyJGFKMCCFLDFBCI-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine?
The IUPAC name of 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine (CID 63385116) is 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine.
What is the SMILES notation for 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine?
The canonical SMILES for 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine is Cc1ccc(Cn2c(C)nnc2Cl)cn1.
What is the InChIKey of 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine?
The InChIKey is JGFKMCCFLDFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-3-4-9(5-12-7)6-15-8(2)13-14-10(15)11/h3-5H,6H2,1-2H3.
What are the key properties of 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine?
5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine has a molecular weight of 222.68 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-5-methyl-1,2,4-triazol-4-yl)methyl]-2-methylpyridine is sourced from PubChem (CID 63385116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).