benzotriazol-1-yl(naphthalen-1-yl)methanone

C17H11N3O — CID 685693

IUPACbenzotriazol-1-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)n1nnc2ccccc21
InChIInChI=1S/C17H11N3O/c21-17(20-16-11-4-3-10-15(16)18-19-20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKeySOUJWQBDUNGZJE-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.27
Rot. Bonds1

About benzotriazol-1-yl(naphthalen-1-yl)methanone

benzotriazol-1-yl(naphthalen-1-yl)methanone (PubChem CID 685693) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is benzotriazol-1-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl(naphthalen-1-yl)methanone
PubChem CID685693
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Namebenzotriazol-1-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)n1nnc2ccccc21
InChIInChI=1S/C17H11N3O/c21-17(20-16-11-4-3-10-15(16)18-19-20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKeySOUJWQBDUNGZJE-UHFFFAOYSA-N
XLogP3.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzoyl-1H-benzotriazole
CID 570059
1-(4-Fluorobenzoyl)-1H-benzotriazole
CID 785793
1-(4-Chlorobenzoyl)-1H-benzotriazole
CID 746939
1-(3-Phenyl-2-propenoyl)-1H-benzotriazole
CID 5338248
1-(4-Bromobenzoyl)-1h-1,2,3-benzotriazole
CID 693001
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
2-(1H-benzotriazol-1-yl)-3-(phenylamino)naphthalene-1,4-dione
CID 1045967
1-(4-Methylbenzoyl)-1H-benzotriazole
CID 827004
1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
CID 834536
2-(Benzotriazol-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 807134
1-(3-fluorobenzoyl)-1H-1,2,3-benzotriazole
CID 807814
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide
CID 1088568

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(naphthalen-1-yl)methanone?
The IUPAC name of benzotriazol-1-yl(naphthalen-1-yl)methanone (CID 685693) is benzotriazol-1-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl(naphthalen-1-yl)methanone?
The canonical SMILES for benzotriazol-1-yl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(naphthalen-1-yl)methanone?
The InChIKey is SOUJWQBDUNGZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c21-17(20-16-11-4-3-10-15(16)18-19-20)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H.
What are the key properties of benzotriazol-1-yl(naphthalen-1-yl)methanone?
benzotriazol-1-yl(naphthalen-1-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 685693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).