3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one

C10H13N4O+ — CID 153425289

IUPAC3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one
SMILESCC1C=[N+](C)N=C1n1cccc(N)c1=O
InChIInChI=1S/C10H13N4O/c1-7-6-13(2)12-9(7)14-5-3-4-8(11)10(14)15/h3-7H,11H2,1-2H3/q+1
InChIKeyUEGFKIACWBFLBP-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.05
Rot. Bonds

About 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one

3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one (PubChem CID 153425289) has the molecular formula C10H13N4O+ and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one
PubChem CID153425289
Molecular FormulaC10H13N4O+
Molecular Weight205.24 g/mol
Exact Mass205.11
IUPAC Name3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one
SMILESCC1C=[N+](C)N=C1n1cccc(N)c1=O
InChIInChI=1S/C10H13N4O/c1-7-6-13(2)12-9(7)14-5-3-4-8(11)10(14)15/h3-7H,11H2,1-2H3/q+1
InChIKeyUEGFKIACWBFLBP-UHFFFAOYSA-N
XLogP-0.05
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one (CID 153425289) is 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one is CC1C=[N+](C)N=C1n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one?
The InChIKey is UEGFKIACWBFLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N4O/c1-7-6-13(2)12-9(7)14-5-3-4-8(11)10(14)15/h3-7H,11H2,1-2H3/q+1.
What are the key properties of 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one?
3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one has a molecular weight of 205.24 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,4-dimethyl-4H-pyrazol-1-ium-3-yl)pyridin-2-one is sourced from PubChem (CID 153425289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).