1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea

C14H23N5O — CID 118788492

IUPAC1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NC(C)C2=CCCCC2)nn1
InChIInChI=1S/C14H23N5O/c1-3-9-19-10-13(17-18-19)16-14(20)15-11(2)12-7-5-4-6-8-12/h7,10-11H,3-6,8-9H2,1-2H3,(H2,15,16,20)
InChIKeyYIOLYBFTQHMUHG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea

1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea (PubChem CID 118788492) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
PubChem CID118788492
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
SMILESCCCn1cc(NC(=O)NC(C)C2=CCCCC2)nn1
InChIInChI=1S/C14H23N5O/c1-3-9-19-10-13(17-18-19)16-14(20)15-11(2)12-7-5-4-6-8-12/h7,10-11H,3-6,8-9H2,1-2H3,(H2,15,16,20)
InChIKeyYIOLYBFTQHMUHG-UHFFFAOYSA-N
XLogP2.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea 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

1-[1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
CID 72837183
1-[1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 72912237
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 97453233
3-[1-(cyclohexen-1-yl)ethylcarbamoylamino]propanoic acid
CID 131916982
1-(1-propyltriazol-4-yl)-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 72872016
1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97454722
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
CID 72879096
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[1-(cyclohexen-1-yl)ethyl]acetamide
CID 72855711

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea?
The IUPAC name of 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea (CID 118788492) is 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea.
What is the SMILES notation for 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea?
The canonical SMILES for 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea is CCCn1cc(NC(=O)NC(C)C2=CCCCC2)nn1.
What is the InChIKey of 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea?
The InChIKey is YIOLYBFTQHMUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-9-19-10-13(17-18-19)16-14(20)15-11(2)12-7-5-4-6-8-12/h7,10-11H,3-6,8-9H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea?
1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea is sourced from PubChem (CID 118788492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).