2-(5-methylbenzotriazol-2-yl)-1-phenylethanone

C15H13N3O — CID 102206431

IUPAC2-(5-methylbenzotriazol-2-yl)-1-phenylethanone
SMILESCc1ccc2nn(CC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C15H13N3O/c1-11-7-8-13-14(9-11)17-18(16-13)10-15(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyAWTHHSWJSOFSFE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.62
Rot. Bonds3

About 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone

2-(5-methylbenzotriazol-2-yl)-1-phenylethanone (PubChem CID 102206431) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5-methylbenzotriazol-2-yl)-1-phenylethanone
PubChem CID102206431
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(5-methylbenzotriazol-2-yl)-1-phenylethanone
SMILESCc1ccc2nn(CC(=O)c3ccccc3)nc2c1
InChIInChI=1S/C15H13N3O/c1-11-7-8-13-14(9-11)17-18(16-13)10-15(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyAWTHHSWJSOFSFE-UHFFFAOYSA-N
XLogP2.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide
CID 44549505
2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
2-(Benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
CID 15959243
2-Benzotriazol-1-yl-1-p-tolyl-ethanone
CID 761841
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanone
CID 15959247
1-Methyl-3-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-1-ium bromide
CID 11759359
1-Azolyl-4-phenyl-2-butanone, 14
CID 44604203
(E)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-1-phenylprop-2-en-1-one
CID 44614306
2-(5,6-Dimethylbenzotriazol-1-yl)-1-phenylethanone
CID 84410550
(E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-1-phenylprop-2-en-1-one
CID 127033259
3-(Benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
2-(Benzotriazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 23738761

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone?
The IUPAC name of 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone (CID 102206431) is 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone is Cc1ccc2nn(CC(=O)c3ccccc3)nc2c1.
What is the InChIKey of 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone?
The InChIKey is AWTHHSWJSOFSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-7-8-13-14(9-11)17-18(16-13)10-15(19)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone?
2-(5-methylbenzotriazol-2-yl)-1-phenylethanone has a molecular weight of 251.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylbenzotriazol-2-yl)-1-phenylethanone is sourced from PubChem (CID 102206431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).