hydron;1H-pyrimidin-2-one

C4H5N2O+ — CID 174811762

IUPAChydron;1H-pyrimidin-2-one
SMILESO=c1nccc[nH]1.[H+]
InChIInChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)/p+1
InChIKeyVTGOHKSTWXHQJK-UHFFFAOYSA-O
MW97.10 g/mol
LogP-0.12
Rot. Bonds

About hydron;1H-pyrimidin-2-one

hydron;1H-pyrimidin-2-one (PubChem CID 174811762) has the molecular formula C4H5N2O+ and a molecular weight of 97.10 g/mol. Its IUPAC name is hydron;1H-pyrimidin-2-one.

Molecular Properties

Compound Namehydron;1H-pyrimidin-2-one
PubChem CID174811762
Molecular FormulaC4H5N2O+
Molecular Weight97.10 g/mol
Exact Mass97.04
IUPAC Namehydron;1H-pyrimidin-2-one
SMILESO=c1nccc[nH]1.[H+]
InChIInChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)/p+1
InChIKeyVTGOHKSTWXHQJK-UHFFFAOYSA-O
XLogP-0.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze hydron;1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydron;1H-pyrimidin-2-one?
The IUPAC name of hydron;1H-pyrimidin-2-one (CID 174811762) is hydron;1H-pyrimidin-2-one.
What is the SMILES notation for hydron;1H-pyrimidin-2-one?
The canonical SMILES for hydron;1H-pyrimidin-2-one is O=c1nccc[nH]1.[H+].
What is the InChIKey of hydron;1H-pyrimidin-2-one?
The InChIKey is VTGOHKSTWXHQJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)/p+1.
What are the key properties of hydron;1H-pyrimidin-2-one?
hydron;1H-pyrimidin-2-one has a molecular weight of 97.10 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1H-pyrimidin-2-one is sourced from PubChem (CID 174811762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).