8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

C10H12ClN3O — CID 53485966

IUPAC8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2c(CCl)cccn12
InChIInChI=1S/C10H12ClN3O/c1-2-15-7-9-12-13-10-8(6-11)4-3-5-14(9)10/h3-5H,2,6-7H2,1H3
InChIKeyLKOVACPVHCLNFL-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.00
Rot. Bonds4

About 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 53485966) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID53485966
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2c(CCl)cccn12
InChIInChI=1S/C10H12ClN3O/c1-2-15-7-9-12-13-10-8(6-11)4-3-5-14(9)10/h3-5H,2,6-7H2,1H3
InChIKeyLKOVACPVHCLNFL-UHFFFAOYSA-N
XLogP2.00
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 107939390
8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459491
ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 19701330
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanimidamide
CID 83881576
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-(chloromethyl)-4-cyclopropyl-5-(ethoxymethyl)-1,2,4-triazole
CID 115397709
1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-amine
CID 83870134
3-(chloromethyl)-5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115398551
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83877169
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411

Frequently Asked Questions

What is the IUPAC name of 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 53485966) is 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is CCOCc1nnc2c(CCl)cccn12.
What is the InChIKey of 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LKOVACPVHCLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-2-15-7-9-12-13-10-8(6-11)4-3-5-14(9)10/h3-5H,2,6-7H2,1H3.
What are the key properties of 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 225.68 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 53485966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).