2-(5-methylbenzotriazol-2-yl)ethanol

C9H11N3O — CID 83968941

IUPAC2-(5-methylbenzotriazol-2-yl)ethanol
SMILESCc1ccc2nn(CCO)nc2c1
InChIInChI=1S/C9H11N3O/c1-7-2-3-8-9(6-7)11-12(10-8)4-5-13/h2-3,6,13H,4-5H2,1H3
InChIKeyVLRNKDDECRQMGF-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.73
Rot. Bonds2

About 2-(5-methylbenzotriazol-2-yl)ethanol

2-(5-methylbenzotriazol-2-yl)ethanol (PubChem CID 83968941) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(5-methylbenzotriazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-methylbenzotriazol-2-yl)ethanol
PubChem CID83968941
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(5-methylbenzotriazol-2-yl)ethanol
SMILESCc1ccc2nn(CCO)nc2c1
InChIInChI=1S/C9H11N3O/c1-7-2-3-8-9(6-7)11-12(10-8)4-5-13/h2-3,6,13H,4-5H2,1H3
InChIKeyVLRNKDDECRQMGF-UHFFFAOYSA-N
XLogP0.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methylbenzotriazol-2-yl)methanamine
CID 70067388
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
CID 54003664
2-[4-[(3,5-dimethylphenyl)methyl]-5-ethyltriazol-2-yl]ethanol
CID 127050005
5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
5-methyl-2-pyrrolidin-1-ylbenzotriazole
CID 102225688
2-[2-(3-hydroxypropyl)benzotriazol-5-yl]acetic acid
CID 83968766
bis[2,4-dihydroxy-5-(5-methylbenzotriazol-2-yl)phenyl]methanone
CID 102195712
2-[2-[(4-methylphenyl)methyl]benzotriazol-5-yl]acetic acid
CID 83968747
3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol
CID 83968869

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylbenzotriazol-2-yl)ethanol?
The IUPAC name of 2-(5-methylbenzotriazol-2-yl)ethanol (CID 83968941) is 2-(5-methylbenzotriazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-methylbenzotriazol-2-yl)ethanol?
The canonical SMILES for 2-(5-methylbenzotriazol-2-yl)ethanol is Cc1ccc2nn(CCO)nc2c1.
What is the InChIKey of 2-(5-methylbenzotriazol-2-yl)ethanol?
The InChIKey is VLRNKDDECRQMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-2-3-8-9(6-7)11-12(10-8)4-5-13/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-(5-methylbenzotriazol-2-yl)ethanol?
2-(5-methylbenzotriazol-2-yl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylbenzotriazol-2-yl)ethanol is sourced from PubChem (CID 83968941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).