2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one

C8H8N4O — CID 89178983

IUPAC2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
SMILESNc1[nH]ccc(=O)c1-c1ncc[nH]1
InChIInChI=1S/C8H8N4O/c9-7-6(5(13)1-2-10-7)8-11-3-4-12-8/h1-4H,(H,11,12)(H3,9,10,13)
InChIKeyPGGICBPSKLXLMV-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.35
Rot. Bonds1

About 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one

2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one (PubChem CID 89178983) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
PubChem CID89178983
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
SMILESNc1[nH]ccc(=O)c1-c1ncc[nH]1
InChIInChI=1S/C8H8N4O/c9-7-6(5(13)1-2-10-7)8-11-3-4-12-8/h1-4H,(H,11,12)(H3,9,10,13)
InChIKeyPGGICBPSKLXLMV-UHFFFAOYSA-N
XLogP0.35
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one (CID 89178983) is 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one is Nc1[nH]ccc(=O)c1-c1ncc[nH]1.
What is the InChIKey of 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
The InChIKey is PGGICBPSKLXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-7-6(5(13)1-2-10-7)8-11-3-4-12-8/h1-4H,(H,11,12)(H3,9,10,13).
What are the key properties of 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one?
2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one has a molecular weight of 176.18 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 89178983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).