2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide

C10H14ClN7OS — CID 19619595

IUPAC2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SMILESCc1nn(C)c(-c2nnc(SCC(=O)NN)n2C)c1Cl
InChIInChI=1S/C10H14ClN7OS/c1-5-7(11)8(18(3)16-5)9-14-15-10(17(9)2)20-4-6(19)13-12/h4,12H2,1-3H3,(H,13,19)
InChIKeyRZBNRYZKVAPCNV-UHFFFAOYSA-N
MW315.79 g/mol
LogP0.26
Rot. Bonds4

About 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide

2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide (PubChem CID 19619595) has the molecular formula C10H14ClN7OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
PubChem CID19619595
Molecular FormulaC10H14ClN7OS
Molecular Weight315.79 g/mol
Exact Mass315.07
IUPAC Name2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SMILESCc1nn(C)c(-c2nnc(SCC(=O)NN)n2C)c1Cl
InChIInChI=1S/C10H14ClN7OS/c1-5-7(11)8(18(3)16-5)9-14-15-10(17(9)2)20-4-6(19)13-12/h4,12H2,1-3H3,(H,13,19)
InChIKeyRZBNRYZKVAPCNV-UHFFFAOYSA-N
XLogP0.26
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide 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

2-[[5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19619582
2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19619600
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 1451146
2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19618209
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47158239
4-chloro-N'-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 4261050
N-(2-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1092241
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 2042261
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136764624
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 104604202
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8005758
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 7169594

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
The IUPAC name of 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide (CID 19619595) is 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
The canonical SMILES for 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide is Cc1nn(C)c(-c2nnc(SCC(=O)NN)n2C)c1Cl.
What is the InChIKey of 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
The InChIKey is RZBNRYZKVAPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7OS/c1-5-7(11)8(18(3)16-5)9-14-15-10(17(9)2)20-4-6(19)13-12/h4,12H2,1-3H3,(H,13,19).
What are the key properties of 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide has a molecular weight of 315.79 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide is sourced from PubChem (CID 19619595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).