2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide

C11H16N6O — CID 119069659

IUPAC2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCn1ccnn1)n1ccnc1
InChIInChI=1S/C11H16N6O/c1-10(16-7-4-12-9-16)11(18)13-3-2-6-17-8-5-14-15-17/h4-5,7-10H,2-3,6H2,1H3,(H,13,18)
InChIKeyVNBROJGWUSXNEF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.24
Rot. Bonds6

About 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide

2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide (PubChem CID 119069659) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
PubChem CID119069659
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCC(C(=O)NCCCn1ccnn1)n1ccnc1
InChIInChI=1S/C11H16N6O/c1-10(16-7-4-12-9-16)11(18)13-3-2-6-17-8-5-14-15-17/h4-5,7-10H,2-3,6H2,1H3,(H,13,18)
InChIKeyVNBROJGWUSXNEF-UHFFFAOYSA-N
XLogP0.24
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
2-methyl-5-[3-(triazol-1-yl)propanoylamino]pentanoic acid
CID 104682582
2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 107769845
2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122557943
(2R)-2-amino-4-methylsulfanyl-N-[3-(triazol-1-yl)propyl]butanamide
CID 104909015
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide (CID 119069659) is 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide is CC(C(=O)NCCCn1ccnn1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide?
The InChIKey is VNBROJGWUSXNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-10(16-7-4-12-9-16)11(18)13-3-2-6-17-8-5-14-15-17/h4-5,7-10H,2-3,6H2,1H3,(H,13,18).
What are the key properties of 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide?
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide has a molecular weight of 248.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide is sourced from PubChem (CID 119069659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).