3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile

C14H18N6 — CID 80516510

IUPAC3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(-n2nc(C)c(N)c2C)c(C#N)c1CC
InChIInChI=1S/C14H18N6/c1-5-10-11(7-15)14(18-17-12(10)6-2)20-9(4)13(16)8(3)19-20/h5-6,16H2,1-4H3
InChIKeyRYYINHFRHPRBNS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds3

About 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile

3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80516510) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80516510
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(-n2nc(C)c(N)c2C)c(C#N)c1CC
InChIInChI=1S/C14H18N6/c1-5-10-11(7-15)14(18-17-12(10)6-2)20-9(4)13(16)8(3)19-20/h5-6,16H2,1-4H3
InChIKeyRYYINHFRHPRBNS-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

3-(3-amino-5-bromo-1,2,4-triazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 103098904
3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 82703182
[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine
CID 80508286
2-(4-amino-3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175455
3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510045
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide
CID 80509976
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133373058
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
CID 116681863
3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 82994484

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile (CID 80516510) is 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(-n2nc(C)c(N)c2C)c(C#N)c1CC.
What is the InChIKey of 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is RYYINHFRHPRBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-5-10-11(7-15)14(18-17-12(10)6-2)20-9(4)13(16)8(3)19-20/h5-6,16H2,1-4H3.
What are the key properties of 3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile?
3-(4-amino-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-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-dimethylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80516510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).