2,3-diamino-1H-pyridin-4-one

C5H7N3O — CID 18628428

IUPAC2,3-diamino-1H-pyridin-4-one
SMILESNc1[nH]ccc(=O)c1N
InChIInChI=1S/C5H7N3O/c6-4-3(9)1-2-8-5(4)7/h1-2H,6H2,(H3,7,8,9)
InChIKeyKSJXLSHOMFDGPV-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.46
Rot. Bonds

About 2,3-diamino-1H-pyridin-4-one

2,3-diamino-1H-pyridin-4-one (PubChem CID 18628428) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2,3-diamino-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-diamino-1H-pyridin-4-one
PubChem CID18628428
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2,3-diamino-1H-pyridin-4-one
SMILESNc1[nH]ccc(=O)c1N
InChIInChI=1S/C5H7N3O/c6-4-3(9)1-2-8-5(4)7/h1-2H,6H2,(H3,7,8,9)
InChIKeyKSJXLSHOMFDGPV-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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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-1H-pyridin-4-one?
The IUPAC name of 2,3-diamino-1H-pyridin-4-one (CID 18628428) is 2,3-diamino-1H-pyridin-4-one.
What is the SMILES notation for 2,3-diamino-1H-pyridin-4-one?
The canonical SMILES for 2,3-diamino-1H-pyridin-4-one is Nc1[nH]ccc(=O)c1N.
What is the InChIKey of 2,3-diamino-1H-pyridin-4-one?
The InChIKey is KSJXLSHOMFDGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-4-3(9)1-2-8-5(4)7/h1-2H,6H2,(H3,7,8,9).
What are the key properties of 2,3-diamino-1H-pyridin-4-one?
2,3-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 2,3-diamino-1H-pyridin-4-one is sourced from PubChem (CID 18628428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).