3-(2H-benzotriazol-5-yl)pentan-3-ol

C11H15N3O — CID 58731201

IUPAC3-(2H-benzotriazol-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H15N3O/c1-3-11(15,4-2)8-5-6-9-10(7-8)13-14-12-9/h5-7,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPGAMYBFTIJPREK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.97
Rot. Bonds3

About 3-(2H-benzotriazol-5-yl)pentan-3-ol

3-(2H-benzotriazol-5-yl)pentan-3-ol (PubChem CID 58731201) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2H-benzotriazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(2H-benzotriazol-5-yl)pentan-3-ol
PubChem CID58731201
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(2H-benzotriazol-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H15N3O/c1-3-11(15,4-2)8-5-6-9-10(7-8)13-14-12-9/h5-7,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPGAMYBFTIJPREK-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-benzotriazol-5-yl)pentan-3-ol?
The IUPAC name of 3-(2H-benzotriazol-5-yl)pentan-3-ol (CID 58731201) is 3-(2H-benzotriazol-5-yl)pentan-3-ol.
What is the SMILES notation for 3-(2H-benzotriazol-5-yl)pentan-3-ol?
The canonical SMILES for 3-(2H-benzotriazol-5-yl)pentan-3-ol is CCC(O)(CC)c1ccc2n[nH]nc2c1.
What is the InChIKey of 3-(2H-benzotriazol-5-yl)pentan-3-ol?
The InChIKey is PGAMYBFTIJPREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-11(15,4-2)8-5-6-9-10(7-8)13-14-12-9/h5-7,15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(2H-benzotriazol-5-yl)pentan-3-ol?
3-(2H-benzotriazol-5-yl)pentan-3-ol has a molecular weight of 205.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-benzotriazol-5-yl)pentan-3-ol is sourced from PubChem (CID 58731201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).