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

C12H14N6O — CID 178066230

IUPAC3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
SMILESCC1=CC2(C#N)C(=O)N=C(N)C2(C#N)CN1N(C)C
InChIInChI=1S/C12H14N6O/c1-8-4-11(5-13)10(19)16-9(15)12(11,6-14)7-18(8)17(2)3/h4H,7H2,1-3H3,(H2,15,16,19)
InChIKeySRYCKWLKCRLISP-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.40
Rot. Bonds1

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

3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile (PubChem CID 178066230) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
PubChem CID178066230
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile
SMILESCC1=CC2(C#N)C(=O)N=C(N)C2(C#N)CN1N(C)C
InChIInChI=1S/C12H14N6O/c1-8-4-11(5-13)10(19)16-9(15)12(11,6-14)7-18(8)17(2)3/h4H,7H2,1-3H3,(H2,15,16,19)
InChIKeySRYCKWLKCRLISP-UHFFFAOYSA-N
XLogP-0.40
TPSA109.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.40
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-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
The IUPAC name of 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile (CID 178066230) is 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
The canonical SMILES for 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile is CC1=CC2(C#N)C(=O)N=C(N)C2(C#N)CN1N(C)C.
What is the InChIKey of 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
The InChIKey is SRYCKWLKCRLISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-8-4-11(5-13)10(19)16-9(15)12(11,6-14)7-18(8)17(2)3/h4H,7H2,1-3H3,(H2,15,16,19).
What are the key properties of 3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile?
3-amino-5-(dimethylamino)-6-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile has a molecular weight of 258.28 g/mol, XLogP of -0.40, 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-methyl-1-oxo-4H-pyrrolo[3,4-c]pyridine-3a,7a-dicarbonitrile is sourced from PubChem (CID 178066230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).