1-(3-aminobenzotriazol-4-yl)pentan-3-ol

C11H16N4O — CID 15399149

IUPAC1-(3-aminobenzotriazol-4-yl)pentan-3-ol
SMILESCCC(O)CCc1cccc2nnn(N)c12
InChIInChI=1S/C11H16N4O/c1-2-9(16)7-6-8-4-3-5-10-11(8)15(12)14-13-10/h3-5,9,16H,2,6-7,12H2,1H3
InChIKeyPBFQLTNCMAUXHV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.85
Rot. Bonds4

About 1-(3-aminobenzotriazol-4-yl)pentan-3-ol

1-(3-aminobenzotriazol-4-yl)pentan-3-ol (PubChem CID 15399149) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(3-aminobenzotriazol-4-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(3-aminobenzotriazol-4-yl)pentan-3-ol
PubChem CID15399149
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(3-aminobenzotriazol-4-yl)pentan-3-ol
SMILESCCC(O)CCc1cccc2nnn(N)c12
InChIInChI=1S/C11H16N4O/c1-2-9(16)7-6-8-4-3-5-10-11(8)15(12)14-13-10/h3-5,9,16H,2,6-7,12H2,1H3
InChIKeyPBFQLTNCMAUXHV-UHFFFAOYSA-N
XLogP0.85
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobenzotriazol-4-yl)pentan-3-ol?
The IUPAC name of 1-(3-aminobenzotriazol-4-yl)pentan-3-ol (CID 15399149) is 1-(3-aminobenzotriazol-4-yl)pentan-3-ol.
What is the SMILES notation for 1-(3-aminobenzotriazol-4-yl)pentan-3-ol?
The canonical SMILES for 1-(3-aminobenzotriazol-4-yl)pentan-3-ol is CCC(O)CCc1cccc2nnn(N)c12.
What is the InChIKey of 1-(3-aminobenzotriazol-4-yl)pentan-3-ol?
The InChIKey is PBFQLTNCMAUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-9(16)7-6-8-4-3-5-10-11(8)15(12)14-13-10/h3-5,9,16H,2,6-7,12H2,1H3.
What are the key properties of 1-(3-aminobenzotriazol-4-yl)pentan-3-ol?
1-(3-aminobenzotriazol-4-yl)pentan-3-ol has a molecular weight of 220.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobenzotriazol-4-yl)pentan-3-ol is sourced from PubChem (CID 15399149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).