8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C15H14ClN3 — CID 118234399

IUPAC8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(C)c1-c1cc(CCl)c2ncnn2c1
InChIInChI=1S/C15H14ClN3/c1-10-4-3-5-11(2)14(10)13-6-12(7-16)15-17-9-18-19(15)8-13/h3-6,8-9H,7H2,1-2H3
InChIKeyCVAWZDSRARCVBH-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.75
Rot. Bonds2

About 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118234399) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118234399
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(C)c1-c1cc(CCl)c2ncnn2c1
InChIInChI=1S/C15H14ClN3/c1-10-4-3-5-11(2)14(10)13-6-12(7-16)15-17-9-18-19(15)8-13/h3-6,8-9H,7H2,1-2H3
InChIKeyCVAWZDSRARCVBH-UHFFFAOYSA-N
XLogP3.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 66636284
8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164553586
8-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 161497988
6-ethenyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 167620295
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641
ethyl 3-[4-[[6-[4-(difluoromethoxy)-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methoxy]phenyl]hex-4-ynoate
CID 118225173
7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164876385
4-(chloromethyl)-1-(2,6-dimethylphenyl)-5-methylpyrazole
CID 82528507
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 121232255
ethyl 3-[4-[[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methoxy]phenyl]hex-4-ynoate
CID 118225179
1-(chloromethyl)-2-methylbenzene
CID 11093
8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172784495

Frequently Asked Questions

What is the IUPAC name of 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 118234399) is 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(C)c1-c1cc(CCl)c2ncnn2c1.
What is the InChIKey of 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CVAWZDSRARCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-4-3-5-11(2)14(10)13-6-12(7-16)15-17-9-18-19(15)8-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 271.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-6-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118234399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).