5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile

C18H22N4O — CID 133375206

IUPAC5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)c2cccc(C)c2)c(C#N)c1CC
InChIInChI=1S/C18H22N4O/c1-4-14-15(10-19)18(22-21-16(14)5-2)20-11-17(23)13-8-6-7-12(3)9-13/h6-9,17,23H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyPKNAMGVIDNPWEV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds6

About 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile (PubChem CID 133375206) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
PubChem CID133375206
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)c2cccc(C)c2)c(C#N)c1CC
InChIInChI=1S/C18H22N4O/c1-4-14-15(10-19)18(22-21-16(14)5-2)20-11-17(23)13-8-6-7-12(3)9-13/h6-9,17,23H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyPKNAMGVIDNPWEV-UHFFFAOYSA-N
XLogP2.93
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile (CID 133375206) is 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile is CCc1nnc(NCC(O)c2cccc(C)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
The InChIKey is PKNAMGVIDNPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-14-15(10-19)18(22-21-16(14)5-2)20-11-17(23)13-8-6-7-12(3)9-13/h6-9,17,23H,4-5,11H2,1-3H3,(H,20,22).
What are the key properties of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133375206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).