3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one

C21H15N3O — CID 11723833

IUPAC3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15N3O/c25-21-18-11-5-6-12-20(18)22-23-24(21)13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2
InChIKeyAUHGGLHRMCMCQV-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.60
Rot. Bonds2

About 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one

3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one (PubChem CID 11723833) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one
PubChem CID11723833
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15N3O/c25-21-18-11-5-6-12-20(18)22-23-24(21)13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2
InChIKeyAUHGGLHRMCMCQV-UHFFFAOYSA-N
XLogP3.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
3-[[(4R)-1,3-dioxan-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 97317007
3-(methylsulfinylmethyl)-1,2,3-benzotriazin-4-one
CID 71412255
(1R,2S,5R)-2-methyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 144936453
3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
CID 5300896
2-acetyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 129088965
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 94491684
(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
CID 7911386

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one (CID 11723833) is 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one?
The InChIKey is AUHGGLHRMCMCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21-18-11-5-6-12-20(18)22-23-24(21)13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2.
What are the key properties of 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one?
3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one has a molecular weight of 325.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 11723833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).