2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile

C16H17N3O2 — CID 82446816

IUPAC2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
SMILESCCCn1nc(-c2cccc(OC)c2)cc(CC#N)c1=O
InChIInChI=1S/C16H17N3O2/c1-3-9-19-16(20)13(7-8-17)11-15(18-19)12-5-4-6-14(10-12)21-2/h4-6,10-11H,3,7,9H2,1-2H3
InChIKeyULHMENFDAZVYFZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds5

About 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile

2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile (PubChem CID 82446816) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
PubChem CID82446816
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
SMILESCCCn1nc(-c2cccc(OC)c2)cc(CC#N)c1=O
InChIInChI=1S/C16H17N3O2/c1-3-9-19-16(20)13(7-8-17)11-15(18-19)12-5-4-6-14(10-12)21-2/h4-6,10-11H,3,7,9H2,1-2H3
InChIKeyULHMENFDAZVYFZ-UHFFFAOYSA-N
XLogP2.39
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
2-[6-(4-nitrophenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446948
2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile
CID 82446725
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447397
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile?
The IUPAC name of 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile (CID 82446816) is 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile?
The canonical SMILES for 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile is CCCn1nc(-c2cccc(OC)c2)cc(CC#N)c1=O.
What is the InChIKey of 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile?
The InChIKey is ULHMENFDAZVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-9-19-16(20)13(7-8-17)11-15(18-19)12-5-4-6-14(10-12)21-2/h4-6,10-11H,3,7,9H2,1-2H3.
What are the key properties of 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile?
2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile is sourced from PubChem (CID 82446816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).