3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide

C9H16N6O2 — CID 106227966

IUPAC3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
SMILESCCC(N)c1cn(CCC(=O)NC(N)=O)nn1
InChIInChI=1S/C9H16N6O2/c1-2-6(10)7-5-15(14-13-7)4-3-8(16)12-9(11)17/h5-6H,2-4,10H2,1H3,(H3,11,12,16,17)
InChIKeyIPGGDJGMCGDSRF-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.73
Rot. Bonds5

About 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide

3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide (PubChem CID 106227966) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
PubChem CID106227966
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
SMILESCCC(N)c1cn(CCC(=O)NC(N)=O)nn1
InChIInChI=1S/C9H16N6O2/c1-2-6(10)7-5-15(14-13-7)4-3-8(16)12-9(11)17/h5-6H,2-4,10H2,1H3,(H3,11,12,16,17)
InChIKeyIPGGDJGMCGDSRF-UHFFFAOYSA-N
XLogP-0.73
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide 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

3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
CID 106228225
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
CID 62053982
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 106227951
2-[4-(1-aminopropyl)triazol-1-yl]-1-(azocan-1-yl)ethanone
CID 106227802
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide?
The IUPAC name of 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide (CID 106227966) is 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide?
The canonical SMILES for 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide is CCC(N)c1cn(CCC(=O)NC(N)=O)nn1.
What is the InChIKey of 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide?
The InChIKey is IPGGDJGMCGDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-2-6(10)7-5-15(14-13-7)4-3-8(16)12-9(11)17/h5-6H,2-4,10H2,1H3,(H3,11,12,16,17).
What are the key properties of 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide?
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide has a molecular weight of 240.27 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 106227966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).