3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one

C20H17N3O3 — CID 17469213

IUPAC3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CC(O)COc1cccc2ccccc12
InChIInChI=1S/C20H17N3O3/c24-15(12-23-20(25)17-9-3-4-10-18(17)21-22-23)13-26-19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,24H,12-13H2
InChIKeyNOIFARAZNZBBMU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.38
Rot. Bonds5

About 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one

3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one (PubChem CID 17469213) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
PubChem CID17469213
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CC(O)COc1cccc2ccccc12
InChIInChI=1S/C20H17N3O3/c24-15(12-23-20(25)17-9-3-4-10-18(17)21-22-23)13-26-19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,24H,12-13H2
InChIKeyNOIFARAZNZBBMU-UHFFFAOYSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,2,3-benzotriazin-4-one
CID 24562597
3-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,2,3-benzotriazin-4-one
CID 26003668
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1,2,3-benzotriazin-4-one
CID 51283446
(2R)-1-(5-tert-butyltetrazol-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 94333689
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione
CID 2309613
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
3-[(2,3-dichlorophenoxy)methyl]-1,2,3-benzotriazin-4-one
CID 2087484
3-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-1,2,3-benzotriazin-4-one
CID 51086563
2-ethoxy-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 63074080
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one (CID 17469213) is 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CC(O)COc1cccc2ccccc12.
What is the InChIKey of 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one?
The InChIKey is NOIFARAZNZBBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-15(12-23-20(25)17-9-3-4-10-18(17)21-22-23)13-26-19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,24H,12-13H2.
What are the key properties of 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one?
3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one has a molecular weight of 347.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 17469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).