[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol

C13H17N3O2 — CID 142521965

IUPAC[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol
SMILESCc1ccc2c(nnn2C2CCCCO2)c1CO
InChIInChI=1S/C13H17N3O2/c1-9-5-6-11-13(10(9)8-17)14-15-16(11)12-4-2-3-7-18-12/h5-6,12,17H,2-4,7-8H2,1H3
InChIKeyFFPCUQDNDGHVEK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.93
Rot. Bonds2

About [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol

[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol (PubChem CID 142521965) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol
PubChem CID142521965
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol
SMILESCc1ccc2c(nnn2C2CCCCO2)c1CO
InChIInChI=1S/C13H17N3O2/c1-9-5-6-11-13(10(9)8-17)14-15-16(11)12-4-2-3-7-18-12/h5-6,12,17H,2-4,7-8H2,1H3
InChIKeyFFPCUQDNDGHVEK-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-yl)-4-[[(2S)-oxiran-2-yl]methoxy]benzotriazole
CID 88666159
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
5-nitro-1-(oxan-2-yl)benzotriazole
CID 15147635
4-(chloromethyl)-5-methyl-2-(oxan-2-yl)benzotriazole
CID 142521980
4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol
CID 158191256
5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
CID 142522009
7-bromo-4-chloro-1-(oxan-2-yl)benzotriazole
CID 178126500
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
ethyl-dimethyl-[2-(oxan-2-yl)pyrazol-3-yl]-λ4-sulfane
CID 153353020
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
ethyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate
CID 165127694
2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol
CID 178105929

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol?
The IUPAC name of [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol (CID 142521965) is [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol?
The canonical SMILES for [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol is Cc1ccc2c(nnn2C2CCCCO2)c1CO.
What is the InChIKey of [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol?
The InChIKey is FFPCUQDNDGHVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-5-6-11-13(10(9)8-17)14-15-16(11)12-4-2-3-7-18-12/h5-6,12,17H,2-4,7-8H2,1H3.
What are the key properties of [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol?
[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol is sourced from PubChem (CID 142521965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).