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

C14H19N5O — CID 80506321

IUPACN-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNC(CCNC(=O)CCn1cncn1)c1ccccc1
InChIInChI=1S/C14H19N5O/c15-13(12-4-2-1-3-5-12)6-8-17-14(20)7-9-19-11-16-10-18-19/h1-5,10-11,13H,6-9,15H2,(H,17,20)
InChIKeyKYHXSDJAIZLUHZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.87
Rot. Bonds7

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

N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 80506321) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID80506321
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNC(CCNC(=O)CCn1cncn1)c1ccccc1
InChIInChI=1S/C14H19N5O/c15-13(12-4-2-1-3-5-12)6-8-17-14(20)7-9-19-11-16-10-18-19/h1-5,10-11,13H,6-9,15H2,(H,17,20)
InChIKeyKYHXSDJAIZLUHZ-UHFFFAOYSA-N
XLogP0.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 4913132
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
(2S)-3-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 28788825

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 80506321) is N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is NC(CCNC(=O)CCn1cncn1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KYHXSDJAIZLUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-13(12-4-2-1-3-5-12)6-8-17-14(20)7-9-19-11-16-10-18-19/h1-5,10-11,13H,6-9,15H2,(H,17,20).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 80506321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).