N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide

C12H18N4O — CID 128670697

IUPACN-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide
SMILESCC1(NC(=O)CCn2ccnn2)CC=CCC1
InChIInChI=1S/C12H18N4O/c1-12(6-3-2-4-7-12)14-11(17)5-9-16-10-8-13-15-16/h2-3,8,10H,4-7,9H2,1H3,(H,14,17)
InChIKeyJQRIHYCWAJUZPZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds4

About N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide

N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide (PubChem CID 128670697) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide
PubChem CID128670697
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide
SMILESCC1(NC(=O)CCn2ccnn2)CC=CCC1
InChIInChI=1S/C12H18N4O/c1-12(6-3-2-4-7-12)14-11(17)5-9-16-10-8-13-15-16/h2-3,8,10H,4-7,9H2,1H3,(H,14,17)
InChIKeyJQRIHYCWAJUZPZ-UHFFFAOYSA-N
XLogP1.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide
CID 115877716
4-methyl-1-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43163099
1-methyl-2-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 83214056
3-methyl-4-[3-(triazol-1-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66254512
2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 43211063
N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
CID 63193740
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide
CID 120889885
4-[[3-(triazol-1-yl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 115438215
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
CID 115877790
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037
N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide
CID 103920188
N-but-3-yn-2-yl-3-(triazol-1-yl)propanamide
CID 114389728

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide (CID 128670697) is N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide is CC1(NC(=O)CCn2ccnn2)CC=CCC1.
What is the InChIKey of N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is JQRIHYCWAJUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(6-3-2-4-7-12)14-11(17)5-9-16-10-8-13-15-16/h2-3,8,10H,4-7,9H2,1H3,(H,14,17).
What are the key properties of N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide?
N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohex-3-en-1-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 128670697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).