2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C9H10ClN3 — CID 116989594

IUPAC2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(CCCl)nn2c1
InChIInChI=1S/C9H10ClN3/c1-7-2-3-9-11-8(4-5-10)12-13(9)6-7/h2-3,6H,4-5H2,1H3
InChIKeyNAQQQWNNTWAZCS-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.82
Rot. Bonds2

About 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 116989594) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID116989594
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(CCCl)nn2c1
InChIInChI=1S/C9H10ClN3/c1-7-2-3-9-11-8(4-5-10)12-13(9)6-7/h2-3,6H,4-5H2,1H3
InChIKeyNAQQQWNNTWAZCS-UHFFFAOYSA-N
XLogP1.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.82
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

3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-ol
CID 117128702
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one
CID 116989620
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83866305
N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]propan-2-amine
CID 116989583
2-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 83816027
2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166831895
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
2-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 71711015
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117130961
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130343

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 116989594) is 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc2nc(CCCl)nn2c1.
What is the InChIKey of 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NAQQQWNNTWAZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-7-2-3-9-11-8(4-5-10)12-13(9)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 195.65 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 116989594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).