3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one

C14H10ClN3O — CID 1252507

IUPAC3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1Cc1ccccc1Cl
InChIInChI=1S/C14H10ClN3O/c15-12-7-3-1-5-10(12)9-18-14(19)11-6-2-4-8-13(11)16-17-18/h1-8H,9H2
InChIKeyZOKXXRHWSXUMPY-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.49
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one

3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one (PubChem CID 1252507) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one
PubChem CID1252507
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1Cc1ccccc1Cl
InChIInChI=1S/C14H10ClN3O/c15-12-7-3-1-5-10(12)9-18-14(19)11-6-2-4-8-13(11)16-17-18/h1-8H,9H2
InChIKeyZOKXXRHWSXUMPY-UHFFFAOYSA-N
XLogP2.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloromethyl-1,2,3-benzotriaz-4-one
CID 90462
3-(4-fluorobenzyl)-1,2,3-benzotriazin-4(3H)-one
CID 1249210
2-[2-(2-chlorophenyl)vinyl]-3-ethyl-4(3H)-quinazolinone
CID 6247184
N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 3341369
2-[(2-Chlorobenzoyl)amino]benzamide
CID 295303
3-Benzyl-1,2,3-benzotriazin-4(3H)-one
CID 610564
1H-Indazol-3-ol, 1-(o-chlorobenzyl)-
CID 120949
3-(4-chlorobenzyl)quinazolin-4(3H)-one
CID 677888
2-chloro-N-ethyl-N-phenylbenzamide
CID 722355
3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one
CID 277303
N-(4-chlorophenethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide
CID 2695546
(S)-N-(1-(4-chlorophenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3 (4H)-yl)acetamide
CID 8036946

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one (CID 1252507) is 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is ZOKXXRHWSXUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-7-3-1-5-10(12)9-18-14(19)11-6-2-4-8-13(11)16-17-18/h1-8H,9H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one?
3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 271.71 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 1252507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).