N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H13N5O — CID 16793646

IUPACN-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNc1cccc(NC(=O)CCn2cncn2)c1
InChIInChI=1S/C11H13N5O/c12-9-2-1-3-10(6-9)15-11(17)4-5-16-8-13-7-14-16/h1-3,6-8H,4-5,12H2,(H,15,17)
InChIKeySQNWVJRPZLCXRK-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.89
Rot. Bonds4

About N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 16793646) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID16793646
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNc1cccc(NC(=O)CCn2cncn2)c1
InChIInChI=1S/C11H13N5O/c12-9-2-1-3-10(6-9)15-11(17)4-5-16-8-13-7-14-16/h1-3,6-8H,4-5,12H2,(H,15,17)
InChIKeySQNWVJRPZLCXRK-UHFFFAOYSA-N
XLogP0.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676210
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803072
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 47063443
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-(3-aminophenyl)-4-(6-oxopyrimidin-1-yl)butanamide
CID 63767929
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
3-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 81366961
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 16793646) is N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide is Nc1cccc(NC(=O)CCn2cncn2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SQNWVJRPZLCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-9-2-1-3-10(6-9)15-11(17)4-5-16-8-13-7-14-16/h1-3,6-8H,4-5,12H2,(H,15,17).
What are the key properties of N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 16793646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).