3-propan-2-yloxypyridazine-4-carbonitrile

C8H9N3O — CID 80510144

IUPAC3-propan-2-yloxypyridazine-4-carbonitrile
SMILESCC(C)Oc1nnccc1C#N
InChIInChI=1S/C8H9N3O/c1-6(2)12-8-7(5-9)3-4-10-11-8/h3-4,6H,1-2H3
InChIKeySFQSIEGEZLUHFH-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.14
Rot. Bonds2

About 3-propan-2-yloxypyridazine-4-carbonitrile

3-propan-2-yloxypyridazine-4-carbonitrile (PubChem CID 80510144) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-propan-2-yloxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-propan-2-yloxypyridazine-4-carbonitrile
PubChem CID80510144
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-propan-2-yloxypyridazine-4-carbonitrile
SMILESCC(C)Oc1nnccc1C#N
InChIInChI=1S/C8H9N3O/c1-6(2)12-8-7(5-9)3-4-10-11-8/h3-4,6H,1-2H3
InChIKeySFQSIEGEZLUHFH-UHFFFAOYSA-N
XLogP1.14
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpentoxy)pyridazine-4-carbonitrile
CID 80510178
2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
CID 11117559
3-(5-methyl-2-propan-2-ylphenoxy)pyridazine-4-carbonitrile
CID 80510004
3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
CID 80510912
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196
3-prop-2-ynoxypyridazine-4-carbonitrile
CID 80510731
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80509239
3-cyclohexyloxypyridazine-4-carbonitrile
CID 80510047
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypyridazine-4-carbonitrile?
The IUPAC name of 3-propan-2-yloxypyridazine-4-carbonitrile (CID 80510144) is 3-propan-2-yloxypyridazine-4-carbonitrile.
What is the SMILES notation for 3-propan-2-yloxypyridazine-4-carbonitrile?
The canonical SMILES for 3-propan-2-yloxypyridazine-4-carbonitrile is CC(C)Oc1nnccc1C#N.
What is the InChIKey of 3-propan-2-yloxypyridazine-4-carbonitrile?
The InChIKey is SFQSIEGEZLUHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6(2)12-8-7(5-9)3-4-10-11-8/h3-4,6H,1-2H3.
What are the key properties of 3-propan-2-yloxypyridazine-4-carbonitrile?
3-propan-2-yloxypyridazine-4-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypyridazine-4-carbonitrile is sourced from PubChem (CID 80510144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).