3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile

C15H15N3O — CID 80510004

IUPAC3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
SMILESCc1ccc(C(C)C)c(Oc2nnccc2C#N)c1
InChIInChI=1S/C15H15N3O/c1-10(2)13-5-4-11(3)8-14(13)19-15-12(9-16)6-7-17-18-15/h4-8,10H,1-3H3
InChIKeySWHJYENZBQIFSI-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.57
Rot. Bonds3

About 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile

3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile (PubChem CID 80510004) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
PubChem CID80510004
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
SMILESCc1ccc(C(C)C)c(Oc2nnccc2C#N)c1
InChIInChI=1S/C15H15N3O/c1-10(2)13-5-4-11(3)8-14(13)19-15-12(9-16)6-7-17-18-15/h4-8,10H,1-3H3
InChIKeySWHJYENZBQIFSI-UHFFFAOYSA-N
XLogP3.57
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
CID 80514539
4-bromo-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 114902358
5-amino-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 61296742
4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 63511383
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174
3-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile
CID 81346295
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171
3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
CID 80510912
3-(3-hydroxy-2-methylphenoxy)pyridazine-4-carbonitrile
CID 80516417
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 43657438
3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile (CID 80510004) is 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile is Cc1ccc(C(C)C)c(Oc2nnccc2C#N)c1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile?
The InChIKey is SWHJYENZBQIFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(2)13-5-4-11(3)8-14(13)19-15-12(9-16)6-7-17-18-15/h4-8,10H,1-3H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile?
3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).