6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine

C10H6ClN5 — CID 43144376

IUPAC6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C10H6ClN5/c11-8-1-2-9-13-14-10(16(9)15-8)7-3-5-12-6-4-7/h1-6H
InChIKeyZEEHSGDEGYDHGU-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.84
Rot. Bonds1

About 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43144376) has the molecular formula C10H6ClN5 and a molecular weight of 231.65 g/mol. Its IUPAC name is 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43144376
Molecular FormulaC10H6ClN5
Molecular Weight231.65 g/mol
Exact Mass231.03
IUPAC Name6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C10H6ClN5/c11-8-1-2-9-13-14-10(16(9)15-8)7-3-5-12-6-4-7/h1-6H
InChIKeyZEEHSGDEGYDHGU-UHFFFAOYSA-N
XLogP1.84
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 43144376) is 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(-c3ccncc3)n2n1.
What is the InChIKey of 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZEEHSGDEGYDHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5/c11-8-1-2-9-13-14-10(16(9)15-8)7-3-5-12-6-4-7/h1-6H.
What are the key properties of 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 231.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).