3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C12H12N4O2 — CID 2995099

IUPAC3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESC=CCOc1cccc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C12H12N4O2/c1-2-6-18-10-5-3-4-9(7-10)11(17)15-12-13-8-14-16-12/h2-5,7-8H,1,6H2,(H2,13,14,15,16,17)
InChIKeyKWEZJOLCQJZEAR-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.62
Rot. Bonds5

About 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2995099) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2995099
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESC=CCOc1cccc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C12H12N4O2/c1-2-6-18-10-5-3-4-9(7-10)11(17)15-12-13-8-14-16-12/h2-5,7-8H,1,6H2,(H2,13,14,15,16,17)
InChIKeyKWEZJOLCQJZEAR-UHFFFAOYSA-N
XLogP1.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide 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-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-(2-cyanophenyl)-3-prop-2-enoxybenzamide
CID 2994048
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698938
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
CID 2972123
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
CID 18952446
3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide
CID 60739971
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2995099) is 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is C=CCOc1cccc(C(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is KWEZJOLCQJZEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-2-6-18-10-5-3-4-9(7-10)11(17)15-12-13-8-14-16-12/h2-5,7-8H,1,6H2,(H2,13,14,15,16,17).
What are the key properties of 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2995099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).