3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one

C8H8N4O — CID 600600

IUPAC3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(N)n1)C(N)=NC2=O
InChIInChI=1S/C8H8N4O/c1-3-2-4-5(6(9)11-3)7(10)12-8(4)13/h2H,1H3,(H2,9,11)(H2,10,12,13)
InChIKeyLWGKHJSGSJFWJV-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.17
Rot. Bonds

About 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one

3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one (PubChem CID 600600) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one
PubChem CID600600
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(N)n1)C(N)=NC2=O
InChIInChI=1S/C8H8N4O/c1-3-2-4-5(6(9)11-3)7(10)12-8(4)13/h2H,1H3,(H2,9,11)(H2,10,12,13)
InChIKeyLWGKHJSGSJFWJV-UHFFFAOYSA-N
XLogP-0.17
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one
CID 230045
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
N-(6-methyl-2-pyridinyl)benzamide
CID 293096
5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 5374405
Isonicotinoyl azide, 2,6-dimethyl-
CID 45090
Pyrido[3,4-d]pyridazin-1(2H)-one, 4,5-diamino-7-methyl-
CID 394331
2-Amino-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 12691493
2-Amino-N,N,6-trimethyl-4-Pyridinecarboxamide
CID 56966857
2-amino-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
CID 131494941

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one (CID 600600) is 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one is Cc1cc2c(c(N)n1)C(N)=NC2=O.
What is the InChIKey of 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one?
The InChIKey is LWGKHJSGSJFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-3-2-4-5(6(9)11-3)7(10)12-8(4)13/h2H,1H3,(H2,9,11)(H2,10,12,13).
What are the key properties of 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one?
3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one has a molecular weight of 176.18 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-6-methylpyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 600600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).