1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione

C18H19N3OS — CID 5197835

IUPAC1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
SMILESCOc1cccc(C2N(c3ccccc3)C(=S)N3CCCN23)c1
InChIInChI=1S/C18H19N3OS/c1-22-16-10-5-7-14(13-16)17-19-11-6-12-20(19)18(23)21(17)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3
InChIKeyHILHBJOKVUHPDP-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.42
Rot. Bonds3

About 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione

1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione (PubChem CID 5197835) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
PubChem CID5197835
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
SMILESCOc1cccc(C2N(c3ccccc3)C(=S)N3CCCN23)c1
InChIInChI=1S/C18H19N3OS/c1-22-16-10-5-7-14(13-16)17-19-11-6-12-20(19)18(23)21(17)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3
InChIKeyHILHBJOKVUHPDP-UHFFFAOYSA-N
XLogP3.42
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione 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

(1R)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 707423
(1R)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 950519
2-(3,4-dichlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3707461
1-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 3608991
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
(1R)-2-phenyl-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 7220032
1-(3-methoxyphenyl)pyrrolidine-2-thione
CID 14089758
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1,3-diphenylazetidin-2-one
CID 11810064
(1S)-2-methyl-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 7327352
1-(3-methoxyphenyl)azepane
CID 57276431
1-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane
CID 15994936
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione?
The IUPAC name of 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione (CID 5197835) is 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione?
The canonical SMILES for 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione is COc1cccc(C2N(c3ccccc3)C(=S)N3CCCN23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione?
The InChIKey is HILHBJOKVUHPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-22-16-10-5-7-14(13-16)17-19-11-6-12-20(19)18(23)21(17)15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione?
1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione has a molecular weight of 325.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione is sourced from PubChem (CID 5197835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).