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

C6H5ClN4 — CID 911387

IUPAC6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H5ClN4/c1-4-8-9-6-3-2-5(7)10-11(4)6/h2-3H,1H3
InChIKeyNHLQOVMOYMLRHE-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.09
Rot. Bonds

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

6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 911387) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID911387
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H5ClN4/c1-4-8-9-6-3-2-5(7)10-11(4)6/h2-3H,1H3
InChIKeyNHLQOVMOYMLRHE-UHFFFAOYSA-N
XLogP1.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 911387) is 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NHLQOVMOYMLRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-4-8-9-6-3-2-5(7)10-11(4)6/h2-3H,1H3.
What are the key properties of 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 168.59 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 911387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).