2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C12H18N4O — CID 64511059

IUPAC2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CC1=CCCCC1
InChIInChI=1S/C12H18N4O/c1-16(8-11-13-9-14-15-11)12(17)7-10-5-3-2-4-6-10/h5,9H,2-4,6-8H2,1H3,(H,13,14,15)
InChIKeyNDVNLHMAYXLSQZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.65
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64511059) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64511059
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CC1=CCCCC1
InChIInChI=1S/C12H18N4O/c1-16(8-11-13-9-14-15-11)12(17)7-10-5-3-2-4-6-10/h5,9H,2-4,6-8H2,1H3,(H,13,14,15)
InChIKeyNDVNLHMAYXLSQZ-UHFFFAOYSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64511059) is 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is NDVNLHMAYXLSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(8-11-13-9-14-15-11)12(17)7-10-5-3-2-4-6-10/h5,9H,2-4,6-8H2,1H3,(H,13,14,15).
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64511059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).