6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile

C15H13N5O — CID 133418227

IUPAC6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cccc(N3CCCC3=O)c2)nn1
InChIInChI=1S/C15H13N5O/c16-10-12-6-7-14(19-18-12)17-11-3-1-4-13(9-11)20-8-2-5-15(20)21/h1,3-4,6-7,9H,2,5,8H2,(H,17,19)
InChIKeyRTWGVZVQWFEBPF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile

6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile (PubChem CID 133418227) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile
PubChem CID133418227
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cccc(N3CCCC3=O)c2)nn1
InChIInChI=1S/C15H13N5O/c16-10-12-6-7-14(19-18-12)17-11-3-1-4-13(9-11)20-8-2-5-15(20)21/h1,3-4,6-7,9H,2,5,8H2,(H,17,19)
InChIKeyRTWGVZVQWFEBPF-UHFFFAOYSA-N
XLogP2.22
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
CID 133392008
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
CID 70901098
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile (CID 133418227) is 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile is N#Cc1ccc(Nc2cccc(N3CCCC3=O)c2)nn1.
What is the InChIKey of 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile?
The InChIKey is RTWGVZVQWFEBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-10-12-6-7-14(19-18-12)17-11-3-1-4-13(9-11)20-8-2-5-15(20)21/h1,3-4,6-7,9H,2,5,8H2,(H,17,19).
What are the key properties of 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile?
6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).