4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine

C10H11ClN4 — CID 62401771

IUPAC4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine
SMILESClCCc1cn(Cc2ccncc2)nn1
InChIInChI=1S/C10H11ClN4/c11-4-1-10-8-15(14-13-10)7-9-2-5-12-6-3-9/h2-3,5-6,8H,1,4,7H2
InChIKeyWRPXTHYLFNTJAJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.50
Rot. Bonds4

About 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine

4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine (PubChem CID 62401771) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine
PubChem CID62401771
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine
SMILESClCCc1cn(Cc2ccncc2)nn1
InChIInChI=1S/C10H11ClN4/c11-4-1-10-8-15(14-13-10)7-9-2-5-12-6-3-9/h2-3,5-6,8H,1,4,7H2
InChIKeyWRPXTHYLFNTJAJ-UHFFFAOYSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine (CID 62401771) is 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine is ClCCc1cn(Cc2ccncc2)nn1.
What is the InChIKey of 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine?
The InChIKey is WRPXTHYLFNTJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-4-1-10-8-15(14-13-10)7-9-2-5-12-6-3-9/h2-3,5-6,8H,1,4,7H2.
What are the key properties of 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine?
4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine has a molecular weight of 222.68 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 62401771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).