2,5-dimethyl-3-oxopyridazine-4-carbonitrile

C7H7N3O — CID 14223001

IUPAC2,5-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1cnn(C)c(=O)c1C#N
InChIInChI=1S/C7H7N3O/c1-5-4-9-10(2)7(11)6(5)3-8/h4H,1-2H3
InChIKeyVXXKWHHEJFPONP-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.04
Rot. Bonds

About 2,5-dimethyl-3-oxopyridazine-4-carbonitrile

2,5-dimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 14223001) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,5-dimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2,5-dimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID14223001
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2,5-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1cnn(C)c(=O)c1C#N
InChIInChI=1S/C7H7N3O/c1-5-4-9-10(2)7(11)6(5)3-8/h4H,1-2H3
InChIKeyVXXKWHHEJFPONP-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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Related Compounds

5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
CID 170979420
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile
CID 133487328
5-ethynyl-1,4-dimethylpyrazole
CID 115011092
2,6,7-trimethylphthalazin-1-one
CID 10899398
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
(E)-3-(1,4-dimethylpyrazol-5-yl)prop-2-enenitrile
CID 131238658
4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
CID 84614931
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
CID 142582492
CID 142582492
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 4557970
3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
CID 84614937

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2,5-dimethyl-3-oxopyridazine-4-carbonitrile (CID 14223001) is 2,5-dimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2,5-dimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2,5-dimethyl-3-oxopyridazine-4-carbonitrile is Cc1cnn(C)c(=O)c1C#N.
What is the InChIKey of 2,5-dimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is VXXKWHHEJFPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-4-9-10(2)7(11)6(5)3-8/h4H,1-2H3.
What are the key properties of 2,5-dimethyl-3-oxopyridazine-4-carbonitrile?
2,5-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 2,5-dimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 14223001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).