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

C11H7ClN4 — CID 792513

IUPAC3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C11H7ClN4/c12-11-14-13-10-7-6-9(15-16(10)11)8-4-2-1-3-5-8/h1-7H
InChIKeyIWCCSYIXLLUUAF-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.44
Rot. Bonds1

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

3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 792513) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID792513
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1nnc2ccc(-c3ccccc3)nn12
InChIInChI=1S/C11H7ClN4/c12-11-14-13-10-7-6-9(15-16(10)11)8-4-2-1-3-5-8/h1-7H
InChIKeyIWCCSYIXLLUUAF-UHFFFAOYSA-N
XLogP2.44
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 792513) is 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1nnc2ccc(-c3ccccc3)nn12.
What is the InChIKey of 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IWCCSYIXLLUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-11-14-13-10-7-6-9(15-16(10)11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 230.66 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 792513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).