N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide

C8H15N5O — CID 63730542

IUPACN-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCC(N)CNC(=O)Cn1cncn1
InChIInChI=1S/C8H15N5O/c1-2-7(9)3-11-8(14)4-13-6-10-5-12-13/h5-7H,2-4,9H2,1H3,(H,11,14)
InChIKeyKAWJHMAZRVULKZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.87
Rot. Bonds5

About N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 63730542) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID63730542
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCC(N)CNC(=O)Cn1cncn1
InChIInChI=1S/C8H15N5O/c1-2-7(9)3-11-8(14)4-13-6-10-5-12-13/h5-7H,2-4,9H2,1H3,(H,11,14)
InChIKeyKAWJHMAZRVULKZ-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

Analyze N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
2-ethyl-2-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]butanoic acid
CID 113308433
N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 107300236
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 103769453
N-hex-1-yn-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 103529009
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61342865
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 81487195
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 94635884

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 63730542) is N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide is CCC(N)CNC(=O)Cn1cncn1.
What is the InChIKey of N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is KAWJHMAZRVULKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-7(9)3-11-8(14)4-13-6-10-5-12-13/h5-7H,2-4,9H2,1H3,(H,11,14).
What are the key properties of N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide 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-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 63730542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).