6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine

C18H25N5O — CID 133353749

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine
SMILESCCOC1CC(Nc2ccc(-n3nc(C)cc3C)nn2)C12CCC2
InChIInChI=1S/C18H25N5O/c1-4-24-15-11-14(18(15)8-5-9-18)19-16-6-7-17(21-20-16)23-13(3)10-12(2)22-23/h6-7,10,14-15H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyWHWWQROAUYLWEW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.04
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine (PubChem CID 133353749) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine
PubChem CID133353749
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine
SMILESCCOC1CC(Nc2ccc(-n3nc(C)cc3C)nn2)C12CCC2
InChIInChI=1S/C18H25N5O/c1-4-24-15-11-14(18(15)8-5-9-18)19-16-6-7-17(21-20-16)23-13(3)10-12(2)22-23/h6-7,10,14-15H,4-5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyWHWWQROAUYLWEW-UHFFFAOYSA-N
XLogP3.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridin-2-amine
CID 133353747
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97100590
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
CID 103932375
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
N-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 100900394
N-[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 100900391
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine (CID 133353749) is 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine is CCOC1CC(Nc2ccc(-n3nc(C)cc3C)nn2)C12CCC2.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine?
The InChIKey is WHWWQROAUYLWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-24-15-11-14(18(15)8-5-9-18)19-16-6-7-17(21-20-16)23-13(3)10-12(2)22-23/h6-7,10,14-15H,4-5,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine has a molecular weight of 327.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133353749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).