1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide

C10H16N6O2 — CID 63579377

IUPAC1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCN2CCCCC2=O)nn1
InChIInChI=1S/C10H16N6O2/c11-12-10(18)8-7-16(14-13-8)6-5-15-4-2-1-3-9(15)17/h7H,1-6,11H2,(H,12,18)
InChIKeySNVZVWAPSFKGAS-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.11
Rot. Bonds4

About 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide

1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 63579377) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
PubChem CID63579377
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCN2CCCCC2=O)nn1
InChIInChI=1S/C10H16N6O2/c11-12-10(18)8-7-16(14-13-8)6-5-15-4-2-1-3-9(15)17/h7H,1-6,11H2,(H,12,18)
InChIKeySNVZVWAPSFKGAS-UHFFFAOYSA-N
XLogP-1.11
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 63573939
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]triazole-4-carbohydrazide
CID 63571534
1-[2-[bis(cyanomethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63569212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide (CID 63579377) is 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCN2CCCCC2=O)nn1.
What is the InChIKey of 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is SNVZVWAPSFKGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-12-10(18)8-7-16(14-13-8)6-5-15-4-2-1-3-9(15)17/h7H,1-6,11H2,(H,12,18).
What are the key properties of 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 252.28 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63579377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).