3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile

C17H20N4O2 — CID 133324592

IUPAC3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccccc1OC(C)CNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C17H20N4O2/c1-11(23-16-8-6-5-7-15(16)22-4)10-19-17-14(9-18)12(2)13(3)20-21-17/h5-8,11H,10H2,1-4H3,(H,19,21)
InChIKeyOUYLIGYHGVQPQB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.85
Rot. Bonds6

About 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133324592) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133324592
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccccc1OC(C)CNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C17H20N4O2/c1-11(23-16-8-6-5-7-15(16)22-4)10-19-17-14(9-18)12(2)13(3)20-21-17/h5-8,11H,10H2,1-4H3,(H,19,21)
InChIKeyOUYLIGYHGVQPQB-UHFFFAOYSA-N
XLogP2.85
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
3-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94664966
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 104577322
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514
5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
CID 133361072
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133324592) is 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile is COc1ccccc1OC(C)CNc1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is OUYLIGYHGVQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(23-16-8-6-5-7-15(16)22-4)10-19-17-14(9-18)12(2)13(3)20-21-17/h5-8,11H,10H2,1-4H3,(H,19,21).
What are the key properties of 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133324592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).