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

C5H7N3O — CID 23423669

IUPAC3,4-diamino-1H-pyridin-2-one
SMILESNc1cc[nH]c(=O)c1N
InChIInChI=1S/C5H7N3O/c6-3-1-2-8-5(9)4(3)7/h1-2H,7H2,(H3,6,8,9)
InChIKeyBHTKBUHNIZPKSG-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.46
Rot. Bonds

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

3,4-diamino-1H-pyridin-2-one (PubChem CID 23423669) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3,4-diamino-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-diamino-1H-pyridin-2-one
PubChem CID23423669
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3,4-diamino-1H-pyridin-2-one
SMILESNc1cc[nH]c(=O)c1N
InChIInChI=1S/C5H7N3O/c6-3-1-2-8-5(9)4(3)7/h1-2H,7H2,(H3,6,8,9)
InChIKeyBHTKBUHNIZPKSG-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 3,4-diamino-1H-pyridin-2-one?
The IUPAC name of 3,4-diamino-1H-pyridin-2-one (CID 23423669) is 3,4-diamino-1H-pyridin-2-one.
What is the SMILES notation for 3,4-diamino-1H-pyridin-2-one?
The canonical SMILES for 3,4-diamino-1H-pyridin-2-one is Nc1cc[nH]c(=O)c1N.
What is the InChIKey of 3,4-diamino-1H-pyridin-2-one?
The InChIKey is BHTKBUHNIZPKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-1-2-8-5(9)4(3)7/h1-2H,7H2,(H3,6,8,9).
What are the key properties of 3,4-diamino-1H-pyridin-2-one?
3,4-diamino-1H-pyridin-2-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 3,4-diamino-1H-pyridin-2-one is sourced from PubChem (CID 23423669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).