3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C12H11Cl2N3 — CID 1478284

IUPAC3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(-c2nnc3n2CCCC3)cc1Cl
InChIInChI=1S/C12H11Cl2N3/c13-9-5-4-8(7-10(9)14)12-16-15-11-3-1-2-6-17(11)12/h4-5,7H,1-3,6H2
InChIKeyBWHCVFCKGLQHDM-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.59
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 1478284) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID1478284
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(-c2nnc3n2CCCC3)cc1Cl
InChIInChI=1S/C12H11Cl2N3/c13-9-5-4-8(7-10(9)14)12-16-15-11-3-1-2-6-17(11)12/h4-5,7H,1-3,6H2
InChIKeyBWHCVFCKGLQHDM-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 1478284) is 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(-c2nnc3n2CCCC3)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BWHCVFCKGLQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-9-5-4-8(7-10(9)14)12-16-15-11-3-1-2-6-17(11)12/h4-5,7H,1-3,6H2.
What are the key properties of 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 268.15 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 1478284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).