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

C13H15N5O2 — CID 21369517

IUPAC3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C13H15N5O2/c1-2-4-12(19)16-11-6-3-5-10(7-11)13(20)17-18-8-14-15-9-18/h3,5-9H,2,4H2,1H3,(H,16,19)(H,17,20)
InChIKeyXGXLFSSUUCZLJL-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.40
Rot. Bonds5

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

3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 21369517) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID21369517
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C13H15N5O2/c1-2-4-12(19)16-11-6-3-5-10(7-11)13(20)17-18-8-14-15-9-18/h3,5-9H,2,4H2,1H3,(H,16,19)(H,17,20)
InChIKeyXGXLFSSUUCZLJL-UHFFFAOYSA-N
XLogP1.40
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540
3-(butanoylamino)benzoate
CID 5092431
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
3-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369505
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
2-bromo-N-[3-(butanoylamino)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701489
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide (CID 21369517) is 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide is CCCC(=O)Nc1cccc(C(=O)Nn2cnnc2)c1.
What is the InChIKey of 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is XGXLFSSUUCZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-4-12(19)16-11-6-3-5-10(7-11)13(20)17-18-8-14-15-9-18/h3,5-9H,2,4H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide?
3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 273.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 21369517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).