(3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine

C7H7N3 — CID 86311394

IUPAC(3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine
SMILESNC1=NC2=NC=C[C@@H]2C=C1
InChIInChI=1S/C7H7N3/c8-6-2-1-5-3-4-9-7(5)10-6/h1-5H,(H2,8,9,10)/t5-/m0/s1
InChIKeyYTIGORGISAXJRK-YFKPBYRVSA-N
MW133.15 g/mol
LogP0.46
Rot. Bonds

About (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine

(3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 86311394) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name(3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID86311394
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name(3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine
SMILESNC1=NC2=NC=C[C@@H]2C=C1
InChIInChI=1S/C7H7N3/c8-6-2-1-5-3-4-9-7(5)10-6/h1-5H,(H2,8,9,10)/t5-/m0/s1
InChIKeyYTIGORGISAXJRK-YFKPBYRVSA-N
XLogP0.46
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-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 (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine (CID 86311394) is (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine is NC1=NC2=NC=C[C@@H]2C=C1.
What is the InChIKey of (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is YTIGORGISAXJRK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H7N3/c8-6-2-1-5-3-4-9-7(5)10-6/h1-5H,(H2,8,9,10)/t5-/m0/s1.
What are the key properties of (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine?
(3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 133.15 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3aH-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 86311394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).