5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine

C7H9N3 — CID 22930083

IUPAC5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine
SMILESNC1=NC2C=NCC2C=C1
InChIInChI=1S/C7H9N3/c8-7-2-1-5-3-9-4-6(5)10-7/h1-2,4-6H,3H2,(H2,8,10)
InChIKeyDSINYKKWLXWRMF-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.02
Rot. Bonds

About 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine

5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine (PubChem CID 22930083) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine
PubChem CID22930083
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine
SMILESNC1=NC2C=NCC2C=C1
InChIInChI=1S/C7H9N3/c8-7-2-1-5-3-9-4-6(5)10-7/h1-2,4-6H,3H2,(H2,8,10)
InChIKeyDSINYKKWLXWRMF-UHFFFAOYSA-N
XLogP-0.02
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine?
The IUPAC name of 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine (CID 22930083) is 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine.
What is the SMILES notation for 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine?
The canonical SMILES for 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine is NC1=NC2C=NCC2C=C1.
What is the InChIKey of 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine?
The InChIKey is DSINYKKWLXWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-7-2-1-5-3-9-4-6(5)10-7/h1-2,4-6H,3H2,(H2,8,10).
What are the key properties of 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine?
5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine has a molecular weight of 135.17 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridin-2-amine is sourced from PubChem (CID 22930083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).