3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

C14H18N6 — CID 82703182

IUPAC3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nn(-c2nnc(C)c(C)c2C#N)c(CC)c1N
InChIInChI=1S/C14H18N6/c1-5-11-13(16)12(6-2)20(19-11)14-10(7-15)8(3)9(4)17-18-14/h5-6,16H2,1-4H3
InChIKeyJJUIQSGDTRMMGY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds3

About 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 82703182) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID82703182
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nn(-c2nnc(C)c(C)c2C#N)c(CC)c1N
InChIInChI=1S/C14H18N6/c1-5-11-13(16)12(6-2)20(19-11)14-10(7-15)8(3)9(4)17-18-14/h5-6,16H2,1-4H3
InChIKeyJJUIQSGDTRMMGY-UHFFFAOYSA-N
XLogP1.86
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 82702709
3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80516510
3,5-diethyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrazol-4-amine
CID 82702865
3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine
CID 82692897
3-(3-amino-5-bromo-1,2,4-triazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 103098904
5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile
CID 62487429
1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702386
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 103908152
3-(2-ethyl-5-methylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 83227031
3,5-diethyl-1-(5-methyl-2-pyridinyl)pyrazol-4-amine
CID 82702145
5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile
CID 55138325
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82703177

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 82703182) is 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is CCc1nn(-c2nnc(C)c(C)c2C#N)c(CC)c1N.
What is the InChIKey of 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is JJUIQSGDTRMMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-5-11-13(16)12(6-2)20(19-11)14-10(7-15)8(3)9(4)17-18-14/h5-6,16H2,1-4H3.
What are the key properties of 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 82703182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).