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

C13H16N4 — CID 117158639

IUPAC3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNc1ccc(-c2ncc3n2CC(N)CC3)cc1
InChIInChI=1S/C13H16N4/c14-10-3-1-9(2-4-10)13-16-7-12-6-5-11(15)8-17(12)13/h1-4,7,11H,5-6,8,14-15H2
InChIKeyRQROVJTUCZJNSU-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.41
Rot. Bonds1

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

3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 117158639) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID117158639
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNc1ccc(-c2ncc3n2CC(N)CC3)cc1
InChIInChI=1S/C13H16N4/c14-10-3-1-9(2-4-10)13-16-7-12-6-5-11(15)8-17(12)13/h1-4,7,11H,5-6,8,14-15H2
InChIKeyRQROVJTUCZJNSU-UHFFFAOYSA-N
XLogP1.41
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.41
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-amine?
The IUPAC name of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 117158639) is 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is Nc1ccc(-c2ncc3n2CC(N)CC3)cc1.
What is the InChIKey of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is RQROVJTUCZJNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-10-3-1-9(2-4-10)13-16-7-12-6-5-11(15)8-17(12)13/h1-4,7,11H,5-6,8,14-15H2.
What are the key properties of 3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
3-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 228.30 g/mol, XLogP of 1.41, 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-amine is sourced from PubChem (CID 117158639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).