2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile

C16H17N3O2 — CID 82445144

IUPAC2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccc(OC(C)C)cc2)cc(C#N)c1=O
InChIInChI=1S/C16H17N3O2/c1-4-19-16(20)13(10-17)9-15(18-19)12-5-7-14(8-6-12)21-11(2)3/h5-9,11H,4H2,1-3H3
InChIKeyCSUAPBDJHBEDQR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.59
Rot. Bonds4

About 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile

2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile (PubChem CID 82445144) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
PubChem CID82445144
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccc(OC(C)C)cc2)cc(C#N)c1=O
InChIInChI=1S/C16H17N3O2/c1-4-19-16(20)13(10-17)9-15(18-19)12-5-7-14(8-6-12)21-11(2)3/h5-9,11H,4H2,1-3H3
InChIKeyCSUAPBDJHBEDQR-UHFFFAOYSA-N
XLogP2.59
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
CID 82447292
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447059
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
CID 82444814
4-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105450
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
2-oxo-1-propan-2-yl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbonitrile
CID 82517833

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile?
The IUPAC name of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile (CID 82445144) is 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile?
The canonical SMILES for 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile is CCn1nc(-c2ccc(OC(C)C)cc2)cc(C#N)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile?
The InChIKey is CSUAPBDJHBEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-19-16(20)13(10-17)9-15(18-19)12-5-7-14(8-6-12)21-11(2)3/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile?
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 82445144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).