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

C13H17N5O — CID 63120307

IUPACN-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNC(CNC(=O)CCn1cncn1)c1ccccc1
InChIInChI=1S/C13H17N5O/c14-12(11-4-2-1-3-5-11)8-16-13(19)6-7-18-10-15-9-17-18/h1-5,9-10,12H,6-8,14H2,(H,16,19)
InChIKeyIRTHPQIAAIFMKT-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.48
Rot. Bonds6

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

N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 63120307) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID63120307
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNC(CNC(=O)CCn1cncn1)c1ccccc1
InChIInChI=1S/C13H17N5O/c14-12(11-4-2-1-3-5-11)8-16-13(19)6-7-18-10-15-9-17-18/h1-5,9-10,12H,6-8,14H2,(H,16,19)
InChIKeyIRTHPQIAAIFMKT-UHFFFAOYSA-N
XLogP0.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119527702
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 4913132
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
2-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 65218713

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 63120307) is N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide is NC(CNC(=O)CCn1cncn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is IRTHPQIAAIFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-12(11-4-2-1-3-5-11)8-16-13(19)6-7-18-10-15-9-17-18/h1-5,9-10,12H,6-8,14H2,(H,16,19).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 63120307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).