[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone

C16H14N4O — CID 116590778

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cn(C2CNC2)nn1)c1cccc2ccccc12
InChIInChI=1S/C16H14N4O/c21-16(15-10-20(19-18-15)12-8-17-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,12,17H,8-9H2
InChIKeySJHIQNMBWLOEJQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.81
Rot. Bonds3

About [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone

[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone (PubChem CID 116590778) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
PubChem CID116590778
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cn(C2CNC2)nn1)c1cccc2ccccc12
InChIInChI=1S/C16H14N4O/c21-16(15-10-20(19-18-15)12-8-17-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,12,17H,8-9H2
InChIKeySJHIQNMBWLOEJQ-UHFFFAOYSA-N
XLogP1.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
CID 116590706
[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116590655
[1-(azetidin-3-yl)triazol-4-yl]-(5-methylthiophen-2-yl)methanone
CID 116590601
1-(azetidin-3-yl)-N-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 79316298
1-(azetidin-3-yl)-N-(2-iodophenyl)triazole-4-carboxamide
CID 79316829
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
1-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
CID 79318707
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116590634
2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone
CID 116590781

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone (CID 116590778) is [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone is O=C(c1cn(C2CNC2)nn1)c1cccc2ccccc12.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone?
The InChIKey is SJHIQNMBWLOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(15-10-20(19-18-15)12-8-17-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,12,17H,8-9H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone?
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone has a molecular weight of 278.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 116590778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).