N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide

C10H14N4O — CID 60983297

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC=CCC1
InChIInChI=1S/C10H14N4O/c15-10(8-4-2-1-3-5-8)11-6-9-12-7-13-14-9/h1-2,7-8H,3-6H2,(H,11,15)(H,12,13,14)
InChIKeyLRZFRDGEDSHVMS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.78
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 60983297) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide
PubChem CID60983297
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC=CCC1
InChIInChI=1S/C10H14N4O/c15-10(8-4-2-1-3-5-8)11-6-9-12-7-13-14-9/h1-2,7-8H,3-6H2,(H,11,15)(H,12,13,14)
InChIKeyLRZFRDGEDSHVMS-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-[1,2,4]Triazole-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 535179
2-cyclopent-2-en-1-yl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 45824194
(1S,6S)-6-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]cyclohex-3-ene-1-carboxamide
CID 164643058
N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 86800226
N-[(Z)-12-(1H-1,2,4-triazol-5-yl)dodec-5-enyl]heptanamide
CID 118528256
ethane;(Z)-2-(2-methylpropyl)-4-[(Z)-prop-1-enyl]-N-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)hept-4-enamide
CID 142063768
N-(4-cyclohexa-1,5-dien-1-ylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 153537334
1-(1H-1,2,4-triazol-5-yl)cyclohex-3-ene-1-carbonyl azide
CID 175844594
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47210667
2-(1H-1,2,4-triazol-5-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 54880577
6-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54886020
3-piperidin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 55049437

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide (CID 60983297) is N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide is O=C(NCc1ncn[nH]1)C1CC=CCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is LRZFRDGEDSHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c15-10(8-4-2-1-3-5-8)11-6-9-12-7-13-14-9/h1-2,7-8H,3-6H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 60983297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).