5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile

C20H26N6 — CID 51125562

IUPAC5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1C
InChIInChI=1S/C20H26N6/c1-14-15(2)23-24-20(19(14)13-21)22-16(3)17-5-7-18(8-6-17)26-11-9-25(4)10-12-26/h5-8,16H,9-12H2,1-4H3,(H,22,24)
InChIKeyNMUNEELEVLJQQU-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.89
Rot. Bonds4

About 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile (PubChem CID 51125562) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
PubChem CID51125562
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1C
InChIInChI=1S/C20H26N6/c1-14-15(2)23-24-20(19(14)13-21)22-16(3)17-5-7-18(8-6-17)26-11-9-25(4)10-12-26/h5-8,16H,9-12H2,1-4H3,(H,22,24)
InChIKeyNMUNEELEVLJQQU-UHFFFAOYSA-N
XLogP2.89
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133369076
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
4-[[[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]methyl]benzonitrile
CID 95582639
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
3-[[(R)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628007
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
3-[(4-hydroxy-3-methylbutan-2-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 115644030
[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
CID 115631606

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile (CID 51125562) is 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NC(C)c2ccc(N3CCN(C)CC3)cc2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile?
The InChIKey is NMUNEELEVLJQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-14-15(2)23-24-20(19(14)13-21)22-16(3)17-5-7-18(8-6-17)26-11-9-25(4)10-12-26/h5-8,16H,9-12H2,1-4H3,(H,22,24).
What are the key properties of 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 51125562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).