5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile

C16H22N6 — CID 133360367

IUPAC5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC)Cc2cnn(C)c2)c(C#N)c1CC
InChIInChI=1S/C16H22N6/c1-5-13-14(8-17)16(20-19-15(13)6-2)22(7-3)11-12-9-18-21(4)10-12/h9-10H,5-7,11H2,1-4H3
InChIKeySKGBASOBBRECRK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.23
Rot. Bonds6

About 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile (PubChem CID 133360367) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile
PubChem CID133360367
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC)Cc2cnn(C)c2)c(C#N)c1CC
InChIInChI=1S/C16H22N6/c1-5-13-14(8-17)16(20-19-15(13)6-2)22(7-3)11-12-9-18-21(4)10-12/h9-10H,5-7,11H2,1-4H3
InChIKeySKGBASOBBRECRK-UHFFFAOYSA-N
XLogP2.23
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile
CID 133284444
ethane;4-ethyl-1-methylpyrazole
CID 143829284
5,6-diethyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]pyridazine-4-carbonitrile
CID 133373741
5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
CID 80509479
5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80509194
5,6-diethyl-3-(4-nitropyrazol-1-yl)pyridazine-4-carbonitrile
CID 80510236
5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 100690694
3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510443
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 133276475
3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510365
1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide
CID 80509976
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile (CID 133360367) is 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile is CCc1nnc(N(CC)Cc2cnn(C)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile?
The InChIKey is SKGBASOBBRECRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-5-13-14(8-17)16(20-19-15(13)6-2)22(7-3)11-12-9-18-21(4)10-12/h9-10H,5-7,11H2,1-4H3.
What are the key properties of 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile has a molecular weight of 298.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133360367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).