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

C10H14ClN7OS — CID 19619600

IUPAC2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SMILESCCn1c(SCC(=O)NN)nnc1-c1nn(C)cc1Cl
InChIInChI=1S/C10H14ClN7OS/c1-3-18-9(8-6(11)4-17(2)16-8)14-15-10(18)20-5-7(19)13-12/h4H,3,5,12H2,1-2H3,(H,13,19)
InChIKeyOBHYXGLCRRPPHF-UHFFFAOYSA-N
MW315.79 g/mol
LogP0.43
Rot. Bonds5

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

2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide (PubChem CID 19619600) has the molecular formula C10H14ClN7OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
PubChem CID19619600
Molecular FormulaC10H14ClN7OS
Molecular Weight315.79 g/mol
Exact Mass315.07
IUPAC Name2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SMILESCCn1c(SCC(=O)NN)nnc1-c1nn(C)cc1Cl
InChIInChI=1S/C10H14ClN7OS/c1-3-18-9(8-6(11)4-17(2)16-8)14-15-10(18)20-5-7(19)13-12/h4H,3,5,12H2,1-2H3,(H,13,19)
InChIKeyOBHYXGLCRRPPHF-UHFFFAOYSA-N
XLogP0.43
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 50.43
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-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide with MolForge

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Related Compounds

2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 16637118
2-[[5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19619582
N-cyclopentyl-2-[[4-ethyl-5-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127785
N-(4-acetamidophenyl)-2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880390
2-[[5-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19619595
ethyl 4-[[2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 16880386
N-(5-chloro-2-methoxyphenyl)-2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880453
2-[[4-ethyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 53127880
2-[[4-ethyl-5-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 53127757
N-benzyl-2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880394
N-(4-acetamidophenyl)-2-[[5-(3-chloro-4-methylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1290570
N-(2,6-dichlorophenyl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3611058

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
The IUPAC name of 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide (CID 19619600) is 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
The canonical SMILES for 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide is CCn1c(SCC(=O)NN)nnc1-c1nn(C)cc1Cl.
What is the InChIKey of 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
The InChIKey is OBHYXGLCRRPPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7OS/c1-3-18-9(8-6(11)4-17(2)16-8)14-15-10(18)20-5-7(19)13-12/h4H,3,5,12H2,1-2H3,(H,13,19).
What are the key properties of 2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide?
2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide has a molecular weight of 315.79 g/mol, XLogP of 0.43, 5 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-methylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide is sourced from PubChem (CID 19619600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).