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

C9H9ClN4 — CID 63385254

IUPAC3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine
SMILESCc1ccncc1-n1c(C)nnc1Cl
InChIInChI=1S/C9H9ClN4/c1-6-3-4-11-5-8(6)14-7(2)12-13-9(14)10/h3-5H,1-2H3
InChIKeyRDQIUCSPXUOETA-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds1

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

3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine (PubChem CID 63385254) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine.

Molecular Properties

Compound Name3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine
PubChem CID63385254
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine
SMILESCc1ccncc1-n1c(C)nnc1Cl
InChIInChI=1S/C9H9ClN4/c1-6-3-4-11-5-8(6)14-7(2)12-13-9(14)10/h3-5H,1-2H3
InChIKeyRDQIUCSPXUOETA-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine?
The IUPAC name of 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine (CID 63385254) is 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine.
What is the SMILES notation for 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine?
The canonical SMILES for 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine is Cc1ccncc1-n1c(C)nnc1Cl.
What is the InChIKey of 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine?
The InChIKey is RDQIUCSPXUOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-3-4-11-5-8(6)14-7(2)12-13-9(14)10/h3-5H,1-2H3.
What are the key properties of 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine?
3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine has a molecular weight of 208.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine is sourced from PubChem (CID 63385254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).