5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one

C14H14N4O2 — CID 168700057

IUPAC5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
SMILESNC1CC(=O)N(c2cnn(-c3ccccc3)c(=O)c2)C1
InChIInChI=1S/C14H14N4O2/c15-10-6-13(19)17(9-10)12-7-14(20)18(16-8-12)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,15H2
InChIKeyWGSWUIWTRWFTSO-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.30
Rot. Bonds2

About 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one

5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one (PubChem CID 168700057) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
PubChem CID168700057
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
SMILESNC1CC(=O)N(c2cnn(-c3ccccc3)c(=O)c2)C1
InChIInChI=1S/C14H14N4O2/c15-10-6-13(19)17(9-10)12-7-14(20)18(16-8-12)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,15H2
InChIKeyWGSWUIWTRWFTSO-UHFFFAOYSA-N
XLogP0.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168709213
methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
CID 168694036
S-[5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidin-3-yl] ethanethioate
CID 168705887
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983
4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168699785
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
4-amino-1-(6-anilino-3-pyridinyl)pyrrolidin-2-one
CID 168700669
4-amino-1-[3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
CID 54792612
4-amino-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168700677

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one?
The IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one (CID 168700057) is 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one?
The canonical SMILES for 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one is NC1CC(=O)N(c2cnn(-c3ccccc3)c(=O)c2)C1.
What is the InChIKey of 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one?
The InChIKey is WGSWUIWTRWFTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-10-6-13(19)17(9-10)12-7-14(20)18(16-8-12)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,15H2.
What are the key properties of 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one?
5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one has a molecular weight of 270.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 168700057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).