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

C8H15N5O — CID 63733343

IUPACN-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(N)CNC(=O)CCn1cncn1
InChIInChI=1S/C8H15N5O/c1-7(9)4-11-8(14)2-3-13-6-10-5-12-13/h5-7H,2-4,9H2,1H3,(H,11,14)
InChIKeyRJCCWHMPBIHVOB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.87
Rot. Bonds5

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

N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 63733343) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID63733343
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(N)CNC(=O)CCn1cncn1
InChIInChI=1S/C8H15N5O/c1-7(9)4-11-8(14)2-3-13-6-10-5-12-13/h5-7H,2-4,9H2,1H3,(H,11,14)
InChIKeyRJCCWHMPBIHVOB-UHFFFAOYSA-N
XLogP-0.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
2-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 65218713
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66181091
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 63733343) is N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(N)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RJCCWHMPBIHVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-7(9)4-11-8(14)2-3-13-6-10-5-12-13/h5-7H,2-4,9H2,1H3,(H,11,14).
What are the key properties of N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 63733343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).