3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine

C6H3Cl2N3 — CID 55267539

IUPAC3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(Cl)n2c1
InChIInChI=1S/C6H3Cl2N3/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H
InChIKeyRTCUWMYFGXWOJA-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.04
Rot. Bonds

About 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine

3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 55267539) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID55267539
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(Cl)n2c1
InChIInChI=1S/C6H3Cl2N3/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H
InChIKeyRTCUWMYFGXWOJA-UHFFFAOYSA-N
XLogP2.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine (CID 55267539) is 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc2nnc(Cl)n2c1.
What is the InChIKey of 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RTCUWMYFGXWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H.
What are the key properties of 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine?
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 188.02 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 55267539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).