4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile

C7H4N4O — CID 67966067

IUPAC4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile
SMILESN#Cc1n[nH]c2[nH]ccc2c1=O
InChIInChI=1S/C7H4N4O/c8-3-5-6(12)4-1-2-9-7(4)11-10-5/h1-2H,(H2,9,11,12)
InChIKeyCQKNWPBRRSPXPZ-UHFFFAOYSA-N
MW160.14 g/mol
LogP0.12
Rot. Bonds

About 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile

4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile (PubChem CID 67966067) has the molecular formula C7H4N4O and a molecular weight of 160.14 g/mol. Its IUPAC name is 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile
PubChem CID67966067
Molecular FormulaC7H4N4O
Molecular Weight160.14 g/mol
Exact Mass160.04
IUPAC Name4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile
SMILESN#Cc1n[nH]c2[nH]ccc2c1=O
InChIInChI=1S/C7H4N4O/c8-3-5-6(12)4-1-2-9-7(4)11-10-5/h1-2H,(H2,9,11,12)
InChIKeyCQKNWPBRRSPXPZ-UHFFFAOYSA-N
XLogP0.12
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one
CID 67965325
5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 171820297
6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 118939062
3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 122697069
6-tert-butyl-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
CID 153319600
4-bromo-1H-pyrrolo[2,3-c]pyridine;4-bromo-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
CID 162199854
6-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 24729592
4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
CID 4157532
3-methyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 130251567
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 119017841
2-amino-4-oxo-1H-pyridine-3-carbonitrile
CID 22020907
2-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 118810429

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile?
The IUPAC name of 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile (CID 67966067) is 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile.
What is the SMILES notation for 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile?
The canonical SMILES for 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile is N#Cc1n[nH]c2[nH]ccc2c1=O.
What is the InChIKey of 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile?
The InChIKey is CQKNWPBRRSPXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O/c8-3-5-6(12)4-1-2-9-7(4)11-10-5/h1-2H,(H2,9,11,12).
What are the key properties of 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile?
4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,7-dihydropyrrolo[2,3-c]pyridazine-3-carbonitrile is sourced from PubChem (CID 67966067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).