6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine

C23H36N6 — CID 137408946

IUPAC6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
SMILESCCCC(C)CN1CCC2(CC1)CC2CNc1ccc(-c2cn(C)nc2C)nn1
InChIInChI=1S/C23H36N6/c1-5-6-17(2)15-29-11-9-23(10-12-29)13-19(23)14-24-22-8-7-21(25-26-22)20-16-28(4)27-18(20)3/h7-8,16-17,19H,5-6,9-15H2,1-4H3,(H,24,26)
InChIKeySPUKLXJXMAQJND-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.14
Rot. Bonds8

About 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine

6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine (PubChem CID 137408946) has the molecular formula C23H36N6 and a molecular weight of 396.58 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
PubChem CID137408946
Molecular FormulaC23H36N6
Molecular Weight396.58 g/mol
Exact Mass396.30
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
SMILESCCCC(C)CN1CCC2(CC1)CC2CNc1ccc(-c2cn(C)nc2C)nn1
InChIInChI=1S/C23H36N6/c1-5-6-17(2)15-29-11-9-23(10-12-29)13-19(23)14-24-22-8-7-21(25-26-22)20-16-28(4)27-18(20)3/h7-8,16-17,19H,5-6,9-15H2,1-4H3,(H,24,26)
InChIKeySPUKLXJXMAQJND-UHFFFAOYSA-N
XLogP4.14
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine
CID 142611626
N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
CID 138562448
N-[4-[6-[[(2S)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]pyridazin-3-yl]phenyl]acetamide
CID 137408833
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 139371426
(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 139371308
3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
CID 155407269
(3aR,5R,6aS)-N-[4-(1,3-dimethylpyrazol-4-yl)-2,3-difluorophenyl]-3a-methyl-2-(2-methylbutyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 142563521
N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 130290034
6-(2,4-dimethylphenyl)-N-ethylpyridazin-3-amine
CID 62204080
(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 171600829
2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane
CID 163496008
N-[[(3aS,6aR)-2-(2,3,3-trimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 138578262

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine (CID 137408946) is 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine is CCCC(C)CN1CCC2(CC1)CC2CNc1ccc(-c2cn(C)nc2C)nn1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
The InChIKey is SPUKLXJXMAQJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6/c1-5-6-17(2)15-29-11-9-23(10-12-29)13-19(23)14-24-22-8-7-21(25-26-22)20-16-28(4)27-18(20)3/h7-8,16-17,19H,5-6,9-15H2,1-4H3,(H,24,26).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine has a molecular weight of 396.58 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 137408946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).