3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide

C12H13N5O2 — CID 17309540

IUPAC3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C12H13N5O2/c1-2-11(18)15-10-5-3-4-9(6-10)12(19)16-17-7-13-14-8-17/h3-8H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyOXFCHKUDMKVDHG-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.01
Rot. Bonds4

About 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide

3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 17309540) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID17309540
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C12H13N5O2/c1-2-11(18)15-10-5-3-4-9(6-10)12(19)16-17-7-13-14-8-17/h3-8H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyOXFCHKUDMKVDHG-UHFFFAOYSA-N
XLogP1.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(propanoylamino)-N-(1,2,4-triazol-4-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

3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 21369517
2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 21369499
5-methyl-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 21369531
N-(3-acetylphenyl)propanamide
CID 903063
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369505
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801

Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide (CID 17309540) is 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide is CCC(=O)Nc1cccc(C(=O)Nn2cnnc2)c1.
What is the InChIKey of 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is OXFCHKUDMKVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-2-11(18)15-10-5-3-4-9(6-10)12(19)16-17-7-13-14-8-17/h3-8H,2H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 17309540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).