6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine

C18H25N5O — CID 98559250

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N[C@@H]3CCOC4(CCCC4)C3)nn2)n1
InChIInChI=1S/C18H25N5O/c1-13-11-14(2)23(22-13)17-6-5-16(20-21-17)19-15-7-10-24-18(12-15)8-3-4-9-18/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyZPGFPIYTJFQADI-OAHLLOKOSA-N
MW327.43 g/mol
LogP3.18
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine (PubChem CID 98559250) 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-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
PubChem CID98559250
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N[C@@H]3CCOC4(CCCC4)C3)nn2)n1
InChIInChI=1S/C18H25N5O/c1-13-11-14(2)23(22-13)17-6-5-16(20-21-17)19-15-7-10-24-18(12-15)8-3-4-9-18/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyZPGFPIYTJFQADI-OAHLLOKOSA-N
XLogP3.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine with MolForge

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Related Compounds

6-(3-methylpyrazol-1-yl)-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 71847338
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
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
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
6-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridazin-3-amine
CID 133353749
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine (CID 98559250) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(N[C@@H]3CCOC4(CCCC4)C3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine?
The InChIKey is ZPGFPIYTJFQADI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-11-14(2)23(22-13)17-6-5-16(20-21-17)19-15-7-10-24-18(12-15)8-3-4-9-18/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine has a molecular weight of 327.43 g/mol, XLogP of 3.18, 3 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-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine is sourced from PubChem (CID 98559250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).