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

C11H15N3O — CID 66614392

IUPAC1-(benzotriazol-2-yl)pentan-2-ol
SMILESCCCC(O)Cn1nc2ccccc2n1
InChIInChI=1S/C11H15N3O/c1-2-5-9(15)8-14-12-10-6-3-4-7-11(10)13-14/h3-4,6-7,9,15H,2,5,8H2,1H3
InChIKeyURAKTNSWVJBSSS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.59
Rot. Bonds4

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

1-(benzotriazol-2-yl)pentan-2-ol (PubChem CID 66614392) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(benzotriazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-2-yl)pentan-2-ol
PubChem CID66614392
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(benzotriazol-2-yl)pentan-2-ol
SMILESCCCC(O)Cn1nc2ccccc2n1
InChIInChI=1S/C11H15N3O/c1-2-5-9(15)8-14-12-10-6-3-4-7-11(10)13-14/h3-4,6-7,9,15H,2,5,8H2,1H3
InChIKeyURAKTNSWVJBSSS-UHFFFAOYSA-N
XLogP1.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-2-yl)pentan-2-ol?
The IUPAC name of 1-(benzotriazol-2-yl)pentan-2-ol (CID 66614392) is 1-(benzotriazol-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(benzotriazol-2-yl)pentan-2-ol?
The canonical SMILES for 1-(benzotriazol-2-yl)pentan-2-ol is CCCC(O)Cn1nc2ccccc2n1.
What is the InChIKey of 1-(benzotriazol-2-yl)pentan-2-ol?
The InChIKey is URAKTNSWVJBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-5-9(15)8-14-12-10-6-3-4-7-11(10)13-14/h3-4,6-7,9,15H,2,5,8H2,1H3.
What are the key properties of 1-(benzotriazol-2-yl)pentan-2-ol?
1-(benzotriazol-2-yl)pentan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-2-yl)pentan-2-ol is sourced from PubChem (CID 66614392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).