3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

C13H15N3O — CID 117158640

IUPAC3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESNc1ccc(-c2ncc3n2CC(O)CC3)cc1
InChIInChI=1S/C13H15N3O/c14-10-3-1-9(2-4-10)13-15-7-11-5-6-12(17)8-16(11)13/h1-4,7,12,17H,5-6,8,14H2
InChIKeyDRPBRJUPKLZWSY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.44
Rot. Bonds1

About 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol

3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117158640) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117158640
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESNc1ccc(-c2ncc3n2CC(O)CC3)cc1
InChIInChI=1S/C13H15N3O/c14-10-3-1-9(2-4-10)13-15-7-11-5-6-12(17)8-16(11)13/h1-4,7,12,17H,5-6,8,14H2
InChIKeyDRPBRJUPKLZWSY-UHFFFAOYSA-N
XLogP1.44
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117158640) is 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is Nc1ccc(-c2ncc3n2CC(O)CC3)cc1.
What is the InChIKey of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is DRPBRJUPKLZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-3-1-9(2-4-10)13-15-7-11-5-6-12(17)8-16(11)13/h1-4,7,12,17H,5-6,8,14H2.
What are the key properties of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 229.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117158640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).