2,6-diamino-1H-pyridin-4-one

C5H7N3O — CID 19935283

IUPAC2,6-diamino-1H-pyridin-4-one
SMILESNc1cc(=O)cc(N)[nH]1
InChIInChI=1S/C5H7N3O/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9)
InChIKeyDAHRVHXMNYUJFB-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.46
Rot. Bonds

About 2,6-diamino-1H-pyridin-4-one

2,6-diamino-1H-pyridin-4-one (PubChem CID 19935283) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2,6-diamino-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-diamino-1H-pyridin-4-one
PubChem CID19935283
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2,6-diamino-1H-pyridin-4-one
SMILESNc1cc(=O)cc(N)[nH]1
InChIInChI=1S/C5H7N3O/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9)
InChIKeyDAHRVHXMNYUJFB-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 2,6-diamino-1H-pyridin-4-one?
The IUPAC name of 2,6-diamino-1H-pyridin-4-one (CID 19935283) is 2,6-diamino-1H-pyridin-4-one.
What is the SMILES notation for 2,6-diamino-1H-pyridin-4-one?
The canonical SMILES for 2,6-diamino-1H-pyridin-4-one is Nc1cc(=O)cc(N)[nH]1.
What is the InChIKey of 2,6-diamino-1H-pyridin-4-one?
The InChIKey is DAHRVHXMNYUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9).
What are the key properties of 2,6-diamino-1H-pyridin-4-one?
2,6-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 2,6-diamino-1H-pyridin-4-one is sourced from PubChem (CID 19935283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).