1-(benzotriazol-2-yl)propan-2-ol

C9H11N3O — CID 130122320

IUPAC1-(benzotriazol-2-yl)propan-2-ol
SMILESCC(O)Cn1nc2ccccc2n1
InChIInChI=1S/C9H11N3O/c1-7(13)6-12-10-8-4-2-3-5-9(8)11-12/h2-5,7,13H,6H2,1H3
InChIKeyAEPCUCKPBLFVIU-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.81
Rot. Bonds2

About 1-(benzotriazol-2-yl)propan-2-ol

1-(benzotriazol-2-yl)propan-2-ol (PubChem CID 130122320) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(benzotriazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-2-yl)propan-2-ol
PubChem CID130122320
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(benzotriazol-2-yl)propan-2-ol
SMILESCC(O)Cn1nc2ccccc2n1
InChIInChI=1S/C9H11N3O/c1-7(13)6-12-10-8-4-2-3-5-9(8)11-12/h2-5,7,13H,6H2,1H3
InChIKeyAEPCUCKPBLFVIU-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-[(2S,3S)-3-(benzotriazol-2-yl)butan-2-yl]benzotriazole
CID 40530281
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol
CID 175150688
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole
CID 139251484
2-(2-methylpropyl)benzo[e]benzotriazol-5-ol
CID 145163399
1-(1-hydroxybenzimidazol-2-yl)ethanol
CID 83387830
2-(benzotriazol-2-yl)ethanamine
CID 10487202
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-2-yl)propan-2-ol?
The IUPAC name of 1-(benzotriazol-2-yl)propan-2-ol (CID 130122320) is 1-(benzotriazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(benzotriazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(benzotriazol-2-yl)propan-2-ol is CC(O)Cn1nc2ccccc2n1.
What is the InChIKey of 1-(benzotriazol-2-yl)propan-2-ol?
The InChIKey is AEPCUCKPBLFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(13)6-12-10-8-4-2-3-5-9(8)11-12/h2-5,7,13H,6H2,1H3.
What are the key properties of 1-(benzotriazol-2-yl)propan-2-ol?
1-(benzotriazol-2-yl)propan-2-ol has a molecular weight of 177.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-2-yl)propan-2-ol is sourced from PubChem (CID 130122320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).