1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one

C15H24N6O — CID 58264369

IUPAC1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
SMILESCCCCCC(=O)Cn1cc(CCCc2cnc(N)[nH]2)nn1
InChIInChI=1S/C15H24N6O/c1-2-3-4-8-14(22)11-21-10-13(19-20-21)7-5-6-12-9-17-15(16)18-12/h9-10H,2-8,11H2,1H3,(H3,16,17,18)
InChIKeyHFTKVWBHHDYLFZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.91
Rot. Bonds10

About 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one

1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one (PubChem CID 58264369) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one.

Molecular Properties

Compound Name1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
PubChem CID58264369
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
SMILESCCCCCC(=O)Cn1cc(CCCc2cnc(N)[nH]2)nn1
InChIInChI=1S/C15H24N6O/c1-2-3-4-8-14(22)11-21-10-13(19-20-21)7-5-6-12-9-17-15(16)18-12/h9-10H,2-8,11H2,1H3,(H3,16,17,18)
InChIKeyHFTKVWBHHDYLFZ-UHFFFAOYSA-N
XLogP1.91
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide
CID 52946860
1-[4-(aminomethyl)triazol-1-yl]nonan-2-one
CID 116599685
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;hydrochloride
CID 67064244
5-[5-[1-[(E)-3-(4-butoxyphenyl)-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine;hydrochloride
CID 53359797
4-[(E)-3-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-2-methylprop-1-enyl]benzaldehyde
CID 53359660
5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 53359804
4-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-1-(2,4,6-trichlorophenyl)butan-1-one
CID 58264428
5-heptadecyl-1H-imidazol-2-amine
CID 25178085

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one?
The IUPAC name of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one (CID 58264369) is 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one.
What is the SMILES notation for 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one?
The canonical SMILES for 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one is CCCCCC(=O)Cn1cc(CCCc2cnc(N)[nH]2)nn1.
What is the InChIKey of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one?
The InChIKey is HFTKVWBHHDYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-3-4-8-14(22)11-21-10-13(19-20-21)7-5-6-12-9-17-15(16)18-12/h9-10H,2-8,11H2,1H3,(H3,16,17,18).
What are the key properties of 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one?
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one has a molecular weight of 304.40 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one is sourced from PubChem (CID 58264369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).