3,5-diamino-1H-pyridin-4-one

C5H7N3O — CID 3023994

IUPAC3,5-diamino-1H-pyridin-4-one
SMILESNc1c[nH]cc(N)c1=O
InChIInChI=1S/C5H7N3O/c6-3-1-8-2-4(7)5(3)9/h1-2H,6-7H2,(H,8,9)
InChIKeyWFLQGXOIDGIFBA-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.46
Rot. Bonds

About 3,5-diamino-1H-pyridin-4-one

3,5-diamino-1H-pyridin-4-one (PubChem CID 3023994) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3,5-diamino-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-diamino-1H-pyridin-4-one
PubChem CID3023994
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3,5-diamino-1H-pyridin-4-one
SMILESNc1c[nH]cc(N)c1=O
InChIInChI=1S/C5H7N3O/c6-3-1-8-2-4(7)5(3)9/h1-2H,6-7H2,(H,8,9)
InChIKeyWFLQGXOIDGIFBA-UHFFFAOYSA-N
XLogP-0.46
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminopyridin-4-ol
CID 233392
3-Amino-5-bromopyridin-4-ol
CID 21560634
5-Amino-2-chloropyridin-4-ol
CID 45079902
3-Amino-2-fluoropyridin-4-ol
CID 130923611
5-Amino-2-bromopyridin-4-ol hydrobromide
CID 165942699
3-Aminopyrrolinone
CID 129795814
5-Amino-2-fluoropyridin-4-ol
CID 92133077
1-(1,4-Dihydropyrazin-2-yl)ethanone
CID 53350347
3-amino-5-fluoro-1H-pyridin-4-one
CID 131026970
4-(Dimethylamino)-3-(methylamino)but-3-en-2-one
CID 535693
3-Buten-2-one, 4-(dimethylamino)-3-(methylamino)-
CID 5362980
(E)-4-(dimethylamino)-3-(methylamino)but-3-en-2-one
CID 177484186

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1H-pyridin-4-one?
The IUPAC name of 3,5-diamino-1H-pyridin-4-one (CID 3023994) is 3,5-diamino-1H-pyridin-4-one.
What is the SMILES notation for 3,5-diamino-1H-pyridin-4-one?
The canonical SMILES for 3,5-diamino-1H-pyridin-4-one is Nc1c[nH]cc(N)c1=O.
What is the InChIKey of 3,5-diamino-1H-pyridin-4-one?
The InChIKey is WFLQGXOIDGIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-1-8-2-4(7)5(3)9/h1-2H,6-7H2,(H,8,9).
What are the key properties of 3,5-diamino-1H-pyridin-4-one?
3,5-diamino-1H-pyridin-4-one has a molecular weight of 125.13 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1H-pyridin-4-one is sourced from PubChem (CID 3023994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).