2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide

C15H17N5S — CID 28601951

IUPAC2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H17N5S/c16-13(17)11-3-1-2-4-12(11)21-15-19-18-14(9-5-6-9)20(15)10-7-8-10/h1-4,9-10H,5-8H2,(H3,16,17)
InChIKeyNPMAZAUEJSIWMB-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.93
Rot. Bonds5

About 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide (PubChem CID 28601951) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
PubChem CID28601951
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H17N5S/c16-13(17)11-3-1-2-4-12(11)21-15-19-18-14(9-5-6-9)20(15)10-7-8-10/h1-4,9-10H,5-8H2,(H3,16,17)
InChIKeyNPMAZAUEJSIWMB-UHFFFAOYSA-N
XLogP2.93
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide 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

3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboximidamide
CID 62685597
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-6-fluoroaniline
CID 60789698
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-iodoaniline
CID 66082360
5-chloro-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 28557061
3-chloro-6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine
CID 43243246
2,6-dichloro-3-[(5-cyclobutyl-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 130364508
3-cyclopropyl-1-methylimidazo[1,5-a]pyridine-8-carboximidamide
CID 83886369
3-[2-(2-chlorophenyl)ethylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole
CID 60603455
2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 9027318
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 8970207
6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
CID 133434187
N-(2-cyanoethyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 7664618

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide (CID 28601951) is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is NPMAZAUEJSIWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c16-13(17)11-3-1-2-4-12(11)21-15-19-18-14(9-5-6-9)20(15)10-7-8-10/h1-4,9-10H,5-8H2,(H3,16,17).
What are the key properties of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide?
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 299.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 28601951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).