5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine

C7H7N3O — CID 87787454

IUPAC5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine
SMILESNC1=NC=C2C=C[NH+]([O-])C=C21
InChIInChI=1S/C7H7N3O/c8-7-6-4-10(11)2-1-5(6)3-9-7/h1-4,10H,(H2,8,9)
InChIKeyWWKRDMRAZQGRFM-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.96
Rot. Bonds

About 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine

5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine (PubChem CID 87787454) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine.

Molecular Properties

Compound Name5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine
PubChem CID87787454
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine
SMILESNC1=NC=C2C=C[NH+]([O-])C=C21
InChIInChI=1S/C7H7N3O/c8-7-6-4-10(11)2-1-5(6)3-9-7/h1-4,10H,(H2,8,9)
InChIKeyWWKRDMRAZQGRFM-UHFFFAOYSA-N
XLogP-0.96
TPSA65.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine?
The IUPAC name of 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine (CID 87787454) is 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine.
What is the SMILES notation for 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine?
The canonical SMILES for 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine is NC1=NC=C2C=C[NH+]([O-])C=C21.
What is the InChIKey of 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine?
The InChIKey is WWKRDMRAZQGRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7-6-4-10(11)2-1-5(6)3-9-7/h1-4,10H,(H2,8,9).
What are the key properties of 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine?
5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine has a molecular weight of 149.15 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxido-5H-pyrrolo[3,4-c]pyridin-5-ium-3-amine is sourced from PubChem (CID 87787454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).