2,6-dimethyl-3-oxopyridazine-4-carbonitrile

C7H7N3O — CID 82442617

IUPAC2,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1cc(C#N)c(=O)n(C)n1
InChIInChI=1S/C7H7N3O/c1-5-3-6(4-8)7(11)10(2)9-5/h3H,1-2H3
InChIKeyUGZRLMSUTDUBLI-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.04
Rot. Bonds

About 2,6-dimethyl-3-oxopyridazine-4-carbonitrile

2,6-dimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 82442617) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,6-dimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID82442617
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1cc(C#N)c(=O)n(C)n1
InChIInChI=1S/C7H7N3O/c1-5-3-6(4-8)7(11)10(2)9-5/h3H,1-2H3
InChIKeyUGZRLMSUTDUBLI-UHFFFAOYSA-N
XLogP-0.04
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2,6-dimethyl-3-oxopyridazine-4-carbonitrile (CID 82442617) is 2,6-dimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2,6-dimethyl-3-oxopyridazine-4-carbonitrile is Cc1cc(C#N)c(=O)n(C)n1.
What is the InChIKey of 2,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is UGZRLMSUTDUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-3-6(4-8)7(11)10(2)9-5/h3H,1-2H3.
What are the key properties of 2,6-dimethyl-3-oxopyridazine-4-carbonitrile?
2,6-dimethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82442617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).