3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile

C13H16N6O — CID 178066232

IUPAC3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
SMILESCC1=C(C)C2(C#N)C(=O)N=C(N)C2(C#N)CN1N(C)C
InChIInChI=1S/C13H16N6O/c1-8-9(2)19(18(3)4)7-12(5-14)10(16)17-11(20)13(8,12)6-15/h7H2,1-4H3,(H2,16,17,20)
InChIKeyGRVJJWKHTVBRHH-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.01
Rot. Bonds1

About 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile

3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile (PubChem CID 178066232) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
PubChem CID178066232
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
SMILESCC1=C(C)C2(C#N)C(=O)N=C(N)C2(C#N)CN1N(C)C
InChIInChI=1S/C13H16N6O/c1-8-9(2)19(18(3)4)7-12(5-14)10(16)17-11(20)13(8,12)6-15/h7H2,1-4H3,(H2,16,17,20)
InChIKeyGRVJJWKHTVBRHH-UHFFFAOYSA-N
XLogP-0.01
TPSA109.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
The IUPAC name of 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile (CID 178066232) is 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
The canonical SMILES for 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile is CC1=C(C)C2(C#N)C(=O)N=C(N)C2(C#N)CN1N(C)C.
What is the InChIKey of 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
The InChIKey is GRVJJWKHTVBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-8-9(2)19(18(3)4)7-12(5-14)10(16)17-11(20)13(8,12)6-15/h7H2,1-4H3,(H2,16,17,20).
What are the key properties of 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile has a molecular weight of 272.31 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylamino)-6,7-dimethyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile is sourced from PubChem (CID 178066232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).