5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile

C19H24N4O — CID 133361072

IUPAC5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(C)c2ccccc2OC)c(C#N)c1CC
InChIInChI=1S/C19H24N4O/c1-5-14-16(11-20)19(23-22-17(14)6-2)21-12-13(3)15-9-7-8-10-18(15)24-4/h7-10,13H,5-6,12H2,1-4H3,(H,21,23)
InChIKeyLHAJAGYKIGELAD-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.70
Rot. Bonds7

About 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile (PubChem CID 133361072) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
PubChem CID133361072
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(C)c2ccccc2OC)c(C#N)c1CC
InChIInChI=1S/C19H24N4O/c1-5-14-16(11-20)19(23-22-17(14)6-2)21-12-13(3)15-9-7-8-10-18(15)24-4/h7-10,13H,5-6,12H2,1-4H3,(H,21,23)
InChIKeyLHAJAGYKIGELAD-UHFFFAOYSA-N
XLogP3.70
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-[(2-hydroxy-3-methoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 133361154
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
CID 133375206
3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
CID 81065330
3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133360711
3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133324592
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
CID 80514429
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80510272
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile (CID 133361072) is 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile is CCc1nnc(NCC(C)c2ccccc2OC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile?
The InChIKey is LHAJAGYKIGELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-5-14-16(11-20)19(23-22-17(14)6-2)21-12-13(3)15-9-7-8-10-18(15)24-4/h7-10,13H,5-6,12H2,1-4H3,(H,21,23).
What are the key properties of 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133361072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).