3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile

C10H9N5O2 — CID 80510225

IUPAC3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCN1C(=O)CC(Nc2nnccc2C#N)C1=O
InChIInChI=1S/C10H9N5O2/c1-15-8(16)4-7(10(15)17)13-9-6(5-11)2-3-12-14-9/h2-3,7H,4H2,1H3,(H,13,14)
InChIKeyIFHNEINFNDRPSN-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.48
Rot. Bonds2

About 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile

3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80510225) has the molecular formula C10H9N5O2 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
PubChem CID80510225
Molecular FormulaC10H9N5O2
Molecular Weight231.21 g/mol
Exact Mass231.08
IUPAC Name3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCN1C(=O)CC(Nc2nnccc2C#N)C1=O
InChIInChI=1S/C10H9N5O2/c1-15-8(16)4-7(10(15)17)13-9-6(5-11)2-3-12-14-9/h2-3,7H,4H2,1H3,(H,13,14)
InChIKeyIFHNEINFNDRPSN-UHFFFAOYSA-N
XLogP-0.48
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile (CID 80510225) is 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile is CN1C(=O)CC(Nc2nnccc2C#N)C1=O.
What is the InChIKey of 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is IFHNEINFNDRPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-15-8(16)4-7(10(15)17)13-9-6(5-11)2-3-12-14-9/h2-3,7H,4H2,1H3,(H,13,14).
What are the key properties of 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 231.21 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).