4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione

C9H14N6S — CID 23006457

IUPAC4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCCCn1nc(-c2n[nH]c(=S)n2N)cc1C
InChIInChI=1S/C9H14N6S/c1-3-4-14-6(2)5-7(13-14)8-11-12-9(16)15(8)10/h5H,3-4,10H2,1-2H3,(H,12,16)
InChIKeyNODAYVRDZNOSOZ-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione

4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 23006457) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
PubChem CID23006457
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
SMILESCCCn1nc(-c2n[nH]c(=S)n2N)cc1C
InChIInChI=1S/C9H14N6S/c1-3-4-14-6(2)5-7(13-14)8-11-12-9(16)15(8)10/h5H,3-4,10H2,1-2H3,(H,12,16)
InChIKeyNODAYVRDZNOSOZ-UHFFFAOYSA-N
XLogP1.24
TPSA77.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-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

4-amino-3-(5-methyl-1-propan-2-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006459
4-amino-3-(1-butyl-3,5-dimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 23006490
4-amino-3-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 23006497
4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 65216106
5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007162
4-amino-3-(4-aminophenyl)-1H-1,2,4-triazole-5-thione
CID 10998218
4-amino-3-(3,4-diethyl-5-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 155176332
4-amino-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione
CID 23006491
3-(2,6-dichloro-4-pyridinyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 134097079
4-amino-3-(4-bromophenyl)-1H-1,2,4-triazole-5-thione
CID 3118950
2-(2-methylpropyl)-6-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442359
3-(3,4-dimethylphenyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 115389953

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CID 23006457) is 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione is CCCn1nc(-c2n[nH]c(=S)n2N)cc1C.
What is the InChIKey of 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is NODAYVRDZNOSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-3-4-14-6(2)5-7(13-14)8-11-12-9(16)15(8)10/h5H,3-4,10H2,1-2H3,(H,12,16).
What are the key properties of 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 238.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 23006457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).