5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C10H15N7O2S — CID 76951996

IUPAC5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCn1c(Sc2c(C(N)=NO)c(C)nn2C)n[nH]c1=O
InChIInChI=1S/C10H15N7O2S/c1-4-17-9(18)12-13-10(17)20-8-6(7(11)15-19)5(2)14-16(8)3/h19H,4H2,1-3H3,(H2,11,15)(H,12,18)
InChIKeyYRRMVJPKAPWHSU-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.12
Rot. Bonds4

About 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76951996) has the molecular formula C10H15N7O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76951996
Molecular FormulaC10H15N7O2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCn1c(Sc2c(C(N)=NO)c(C)nn2C)n[nH]c1=O
InChIInChI=1S/C10H15N7O2S/c1-4-17-9(18)12-13-10(17)20-8-6(7(11)15-19)5(2)14-16(8)3/h19H,4H2,1-3H3,(H2,11,15)(H,12,18)
InChIKeyYRRMVJPKAPWHSU-UHFFFAOYSA-N
XLogP-0.12
TPSA127.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76951996) is 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is CCn1c(Sc2c(C(N)=NO)c(C)nn2C)n[nH]c1=O.
What is the InChIKey of 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is YRRMVJPKAPWHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2S/c1-4-17-9(18)12-13-10(17)20-8-6(7(11)15-19)5(2)14-16(8)3/h19H,4H2,1-3H3,(H2,11,15)(H,12,18).
What are the key properties of 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 297.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76951996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).