3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H13ClN6S — CID 71579088

IUPAC3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1
InChIInChI=1S/C16H13ClN6S/c1-10(13-7-8-18-19-13)24-15-6-5-14-20-21-16(23(14)22-15)11-3-2-4-12(17)9-11/h2-10H,1H3,(H,18,19)
InChIKeyBYVKSUZLHSOAJT-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.02
Rot. Bonds4

About 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 71579088) has the molecular formula C16H13ClN6S and a molecular weight of 356.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID71579088
Molecular FormulaC16H13ClN6S
Molecular Weight356.84 g/mol
Exact Mass356.06
IUPAC Name3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1
InChIInChI=1S/C16H13ClN6S/c1-10(13-7-8-18-19-13)24-15-6-5-14-20-21-16(23(14)22-15)11-3-2-4-12(17)9-11/h2-10H,1H3,(H,18,19)
InChIKeyBYVKSUZLHSOAJT-UHFFFAOYSA-N
XLogP4.02
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168269148
5-Butyl-2-(3-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 135738640
6-N-[(3-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168276088
6-N-[(4-chlorophenyl)methyl]-1-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168279814
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168281579
3-(1H-pyrazol-5-yl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 71578670
6-[2-[(3-Chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2820652
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49795151
2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-6-pentyl-N-(5-phenyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 164612212
2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 164617053
2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 164626521

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 71579088) is 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BYVKSUZLHSOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6S/c1-10(13-7-8-18-19-13)24-15-6-5-14-20-21-16(23(14)22-15)11-3-2-4-12(17)9-11/h2-10H,1H3,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 356.84 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 71579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).