4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole

C9H15N3S — CID 130719695

IUPAC4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole
SMILESCc1nnc(SC(C)C)n1C1CC1
InChIInChI=1S/C9H15N3S/c1-6(2)13-9-11-10-7(3)12(9)8-4-5-8/h6,8H,4-5H2,1-3H3
InChIKeyGLTDOHGVNGCYRN-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.42
Rot. Bonds3

About 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole

4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole (PubChem CID 130719695) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole
PubChem CID130719695
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole
SMILESCc1nnc(SC(C)C)n1C1CC1
InChIInChI=1S/C9H15N3S/c1-6(2)13-9-11-10-7(3)12(9)8-4-5-8/h6,8H,4-5H2,1-3H3
InChIKeyGLTDOHGVNGCYRN-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole 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

(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
CID 9377886
4-cyclopropyl-3-propan-2-ylsulfanyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 47139658
(2R)-N-carbamoyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9377742
4-cyclopropyl-3-(2-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 47094853
(2R)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 39967243
(2S)-N-(4-acetamidophenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723023
3-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanyl-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 8723210
3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 17490022
(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8959742
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 8959736
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723378
N-[4-[(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]acetamide
CID 8723572

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole (CID 130719695) is 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole is Cc1nnc(SC(C)C)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole?
The InChIKey is GLTDOHGVNGCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)13-9-11-10-7(3)12(9)8-4-5-8/h6,8H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole?
4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole has a molecular weight of 197.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-5-propan-2-ylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 130719695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).