5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol

C11H17N5O — CID 142215212

IUPAC5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCNCCC/N=C1/NC(N)(O)c2cccnc21
InChIInChI=1S/C11H17N5O/c1-13-5-3-7-15-10-9-8(4-2-6-14-9)11(12,17)16-10/h2,4,6,13,17H,3,5,7,12H2,1H3,(H,15,16)
InChIKeyDYUFFMVUSADMNM-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.90
Rot. Bonds4

About 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol

5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 142215212) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID142215212
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCNCCC/N=C1/NC(N)(O)c2cccnc21
InChIInChI=1S/C11H17N5O/c1-13-5-3-7-15-10-9-8(4-2-6-14-9)11(12,17)16-10/h2,4,6,13,17H,3,5,7,12H2,1H3,(H,15,16)
InChIKeyDYUFFMVUSADMNM-UHFFFAOYSA-N
XLogP-0.90
TPSA95.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 142215212) is 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol is CNCCC/N=C1/NC(N)(O)c2cccnc21.
What is the InChIKey of 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is DYUFFMVUSADMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-13-5-3-7-15-10-9-8(4-2-6-14-9)11(12,17)16-10/h2,4,6,13,17H,3,5,7,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 235.29 g/mol, XLogP of -0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 142215212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).