2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine

C11H13ClN4 — CID 63385432

IUPAC2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine
SMILESCCc1nnc(Cl)n1Cc1cccc(C)n1
InChIInChI=1S/C11H13ClN4/c1-3-10-14-15-11(12)16(10)7-9-6-4-5-8(2)13-9/h4-6H,3,7H2,1-2H3
InChIKeyZDBMBTFKZLPOTA-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.25
Rot. Bonds3

About 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine

2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine (PubChem CID 63385432) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine
PubChem CID63385432
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine
SMILESCCc1nnc(Cl)n1Cc1cccc(C)n1
InChIInChI=1S/C11H13ClN4/c1-3-10-14-15-11(12)16(10)7-9-6-4-5-8(2)13-9/h4-6H,3,7H2,1-2H3
InChIKeyZDBMBTFKZLPOTA-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine?
The IUPAC name of 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine (CID 63385432) is 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine is CCc1nnc(Cl)n1Cc1cccc(C)n1.
What is the InChIKey of 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine?
The InChIKey is ZDBMBTFKZLPOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-10-14-15-11(12)16(10)7-9-6-4-5-8(2)13-9/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine?
2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine has a molecular weight of 236.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-ethyl-1,2,4-triazol-4-yl)methyl]-6-methylpyridine is sourced from PubChem (CID 63385432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).