N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H16N4O2 — CID 136831989

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c16-10(9-13-11(17)15-14-9)12-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,12,16)(H2,13,14,15,17)
InChIKeyABZRCMKEUNPXAE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.72
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136831989) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136831989
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c16-10(9-13-11(17)15-14-9)12-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,12,16)(H2,13,14,15,17)
InChIKeyABZRCMKEUNPXAE-UHFFFAOYSA-N
XLogP0.72
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63101773
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N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136831989) is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCCC1=CCCCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is ABZRCMKEUNPXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(9-13-11(17)15-14-9)12-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136831989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).