3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C12H15N5 — CID 117158652

IUPAC3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1ccccc1-c1nnc2n1C(N)CCC2
InChIInChI=1S/C12H15N5/c13-9-5-2-1-4-8(9)12-16-15-11-7-3-6-10(14)17(11)12/h1-2,4-5,10H,3,6-7,13-14H2
InChIKeyZUEPCYHTWIKFOV-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.32
Rot. Bonds1

About 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117158652) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117158652
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1ccccc1-c1nnc2n1C(N)CCC2
InChIInChI=1S/C12H15N5/c13-9-5-2-1-4-8(9)12-16-15-11-7-3-6-10(14)17(11)12/h1-2,4-5,10H,3,6-7,13-14H2
InChIKeyZUEPCYHTWIKFOV-UHFFFAOYSA-N
XLogP1.32
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117158652) is 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Nc1ccccc1-c1nnc2n1C(N)CCC2.
What is the InChIKey of 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is ZUEPCYHTWIKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-9-5-2-1-4-8(9)12-16-15-11-7-3-6-10(14)17(11)12/h1-2,4-5,10H,3,6-7,13-14H2.
What are the key properties of 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 229.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117158652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).