3,4-diamino-1-methylpyridin-2-one

C6H9N3O — CID 15195067

IUPAC3,4-diamino-1-methylpyridin-2-one
SMILESCn1ccc(N)c(N)c1=O
InChIInChI=1S/C6H9N3O/c1-9-3-2-4(7)5(8)6(9)10/h2-3H,7-8H2,1H3
InChIKeyWALXZZKSKMNSRI-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.45
Rot. Bonds

About 3,4-diamino-1-methylpyridin-2-one

3,4-diamino-1-methylpyridin-2-one (PubChem CID 15195067) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3,4-diamino-1-methylpyridin-2-one.

Molecular Properties

Compound Name3,4-diamino-1-methylpyridin-2-one
PubChem CID15195067
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3,4-diamino-1-methylpyridin-2-one
SMILESCn1ccc(N)c(N)c1=O
InChIInChI=1S/C6H9N3O/c1-9-3-2-4(7)5(8)6(9)10/h2-3H,7-8H2,1H3
InChIKeyWALXZZKSKMNSRI-UHFFFAOYSA-N
XLogP-0.45
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-1-methylpyridin-2-one?
The IUPAC name of 3,4-diamino-1-methylpyridin-2-one (CID 15195067) is 3,4-diamino-1-methylpyridin-2-one.
What is the SMILES notation for 3,4-diamino-1-methylpyridin-2-one?
The canonical SMILES for 3,4-diamino-1-methylpyridin-2-one is Cn1ccc(N)c(N)c1=O.
What is the InChIKey of 3,4-diamino-1-methylpyridin-2-one?
The InChIKey is WALXZZKSKMNSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-3-2-4(7)5(8)6(9)10/h2-3H,7-8H2,1H3.
What are the key properties of 3,4-diamino-1-methylpyridin-2-one?
3,4-diamino-1-methylpyridin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-1-methylpyridin-2-one is sourced from PubChem (CID 15195067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).