1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine

C16H21N5 — CID 120580488

IUPAC1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1cccnn1
InChIInChI=1S/C16H21N5/c1-3-12-7-5-8-13(4-2)15(12)20-16(17)18-11-14-9-6-10-19-21-14/h5-10H,3-4,11H2,1-2H3,(H3,17,18,20)
InChIKeyYEGVHVKFSUAVTR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine

1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine (PubChem CID 120580488) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine
PubChem CID120580488
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1cccnn1
InChIInChI=1S/C16H21N5/c1-3-12-7-5-8-13(4-2)15(12)20-16(17)18-11-14-9-6-10-19-21-14/h5-10H,3-4,11H2,1-2H3,(H3,17,18,20)
InChIKeyYEGVHVKFSUAVTR-UHFFFAOYSA-N
XLogP2.53
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine
CID 122098664
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802358
1-(2,6-diethylphenyl)-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111601392
1-(2,6-diethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111806909
1-(2,6-diethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065272
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928
1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603199
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
1-(2,6-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111066013
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine?
The IUPAC name of 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine (CID 120580488) is 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine is CCc1cccc(CC)c1N/C(N)=N/Cc1cccnn1.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine?
The InChIKey is YEGVHVKFSUAVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-12-7-5-8-13(4-2)15(12)20-16(17)18-11-14-9-6-10-19-21-14/h5-10H,3-4,11H2,1-2H3,(H3,17,18,20).
What are the key properties of 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine?
1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine has a molecular weight of 283.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine is sourced from PubChem (CID 120580488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).