6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile

C18H18N6 — CID 133432328

IUPAC6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
SMILESCc1nn(Cc2ccccc2)c(C)c1CNc1ccc(C#N)nn1
InChIInChI=1S/C18H18N6/c1-13-17(11-20-18-9-8-16(10-19)21-22-18)14(2)24(23-13)12-15-6-4-3-5-7-15/h3-9H,11-12H2,1-2H3,(H,20,22)
InChIKeyAQHCIGGPIJUPSS-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.82
Rot. Bonds5

About 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile

6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile (PubChem CID 133432328) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
PubChem CID133432328
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
SMILESCc1nn(Cc2ccccc2)c(C)c1CNc1ccc(C#N)nn1
InChIInChI=1S/C18H18N6/c1-13-17(11-20-18-9-8-16(10-19)21-22-18)14(2)24(23-13)12-15-6-4-3-5-7-15/h3-9H,11-12H2,1-2H3,(H,20,22)
InChIKeyAQHCIGGPIJUPSS-UHFFFAOYSA-N
XLogP2.82
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969286
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432325
3-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647689
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110966957
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467618
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylguanidine
CID 110914086

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile (CID 133432328) is 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile is Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(C#N)nn1.
What is the InChIKey of 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
The InChIKey is AQHCIGGPIJUPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-13-17(11-20-18-9-8-16(10-19)21-22-18)14(2)24(23-13)12-15-6-4-3-5-7-15/h3-9H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133432328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).