6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile

C9H8N4O — CID 131122931

IUPAC6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(=O)C2)nn1
InChIInChI=1S/C9H8N4O/c10-5-7-1-2-9(12-11-7)13-4-3-8(14)6-13/h1-2H,3-4,6H2
InChIKeyAGHLVIJGODVSLG-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.13
Rot. Bonds1

About 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile

6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile (PubChem CID 131122931) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
PubChem CID131122931
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(=O)C2)nn1
InChIInChI=1S/C9H8N4O/c10-5-7-1-2-9(12-11-7)13-4-3-8(14)6-13/h1-2H,3-4,6H2
InChIKeyAGHLVIJGODVSLG-UHFFFAOYSA-N
XLogP0.13
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one
CID 116973110
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one
CID 116973128
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile
CID 133444389
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
CID 139547658
3-(3-oxopyrrolidin-1-yl)benzonitrile
CID 22000239
6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 163350137

Frequently Asked Questions

What is the IUPAC name of 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile?
The IUPAC name of 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile (CID 131122931) is 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile is N#Cc1ccc(N2CCC(=O)C2)nn1.
What is the InChIKey of 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile?
The InChIKey is AGHLVIJGODVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-5-7-1-2-9(12-11-7)13-4-3-8(14)6-13/h1-2H,3-4,6H2.
What are the key properties of 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile?
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 131122931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).