1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide

C11H18N6O2S — CID 63581531

IUPAC1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
SMILESCn1cnnc1SCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H18N6O2S/c1-16-7-13-15-11(16)20-6-9(18)17-4-2-8(3-5-17)10(19)14-12/h7-8H,2-6,12H2,1H3,(H,14,19)
InChIKeyXREURVFVIKCNOF-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.86
Rot. Bonds4

About 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide

1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide (PubChem CID 63581531) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
PubChem CID63581531
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
SMILESCn1cnnc1SCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H18N6O2S/c1-16-7-13-15-11(16)20-6-9(18)17-4-2-8(3-5-17)10(19)14-12/h7-8H,2-6,12H2,1H3,(H,14,19)
InChIKeyXREURVFVIKCNOF-UHFFFAOYSA-N
XLogP-0.86
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 2962917
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63580535
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 133132637
1-(2-ethylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 78763785
N-benzyl-1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 35732801
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 107782874
formic acid;1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 154914696
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 125166955
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8787459
1-(2-pyrazol-1-ylacetyl)piperidine-4-carbohydrazide
CID 63573929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide (CID 63581531) is 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide is Cn1cnnc1SCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide?
The InChIKey is XREURVFVIKCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-16-7-13-15-11(16)20-6-9(18)17-4-2-8(3-5-17)10(19)14-12/h7-8H,2-6,12H2,1H3,(H,14,19).
What are the key properties of 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide?
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide has a molecular weight of 298.37 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63581531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).