1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one

C12H15ClN4O — CID 113374629

IUPAC1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCn1cc(CCCCl)nn1
InChIInChI=1S/C12H15ClN4O/c13-6-3-4-11-10-17(15-14-11)9-8-16-7-2-1-5-12(16)18/h1-2,5,7,10H,3-4,6,8-9H2
InChIKeyGJLHORDEWVPZHE-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.31
Rot. Bonds6

About 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one

1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one (PubChem CID 113374629) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one
PubChem CID113374629
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCn1cc(CCCCl)nn1
InChIInChI=1S/C12H15ClN4O/c13-6-3-4-11-10-17(15-14-11)9-8-16-7-2-1-5-12(16)18/h1-2,5,7,10H,3-4,6,8-9H2
InChIKeyGJLHORDEWVPZHE-UHFFFAOYSA-N
XLogP1.31
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(2-oxo-1-pyridinyl)ethyl]triazol-4-yl]propanoic acid
CID 107460616
4-(3-chloropropyl)-1-(4-phenylbutyl)triazole
CID 114334578
1-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]pyridin-2-one
CID 154787634
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
4-(2-chloroethyl)-1-(2-phenylethyl)triazole
CID 62401597
1-[2-[4-(diethoxymethyl)triazol-1-yl]ethyl]pyridin-2-one
CID 82899913
4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412253
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
4-(3-chloropropyl)-1-[(3,5-difluorophenyl)methyl]triazole
CID 105407956
1-[(2-chloro-4-methylphenyl)methyl]-4-(3-chloropropyl)triazole
CID 106869397
1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one
CID 67920630

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one (CID 113374629) is 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one is O=c1ccccn1CCn1cc(CCCCl)nn1.
What is the InChIKey of 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one?
The InChIKey is GJLHORDEWVPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-6-3-4-11-10-17(15-14-11)9-8-16-7-2-1-5-12(16)18/h1-2,5,7,10H,3-4,6,8-9H2.
What are the key properties of 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one?
1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 113374629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).