(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine

C22H32N6 — CID 139371308

IUPAC(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1nn(C)cc1-c1ccc(CNC2[C@H]3CN(CC4CCCCC4)C[C@@H]23)nn1
InChIInChI=1S/C22H32N6/c1-15-18(12-27(2)26-15)21-9-8-17(24-25-21)10-23-22-19-13-28(14-20(19)22)11-16-6-4-3-5-7-16/h8-9,12,16,19-20,22-23H,3-7,10-11,13-14H2,1-2H3/t19-,20+,22?
InChIKeyOJXYEXAKCRMEKB-RLAPIPATSA-N
MW380.54 g/mol
LogP2.79
Rot. Bonds6

About (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine

(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 139371308) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID139371308
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCc1nn(C)cc1-c1ccc(CNC2[C@H]3CN(CC4CCCCC4)C[C@@H]23)nn1
InChIInChI=1S/C22H32N6/c1-15-18(12-27(2)26-15)21-9-8-17(24-25-21)10-23-22-19-13-28(14-20(19)22)11-16-6-4-3-5-7-16/h8-9,12,16,19-20,22-23H,3-7,10-11,13-14H2,1-2H3/t19-,20+,22?
InChIKeyOJXYEXAKCRMEKB-RLAPIPATSA-N
XLogP2.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

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
(3aR,6aS)-2-(2-bicyclo[2.2.2]oct-5-enylmethyl)-5-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563551
3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
CID 155407269
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
(3aS,6aR)-2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-[[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 165102295
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-(2,3-difluorophenyl)pyridazin-3-yl]-3-(oxan-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 139371059
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
CID 138562448
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
6-(1,3-dimethylpyrazol-4-yl)-N-[[6-(2-methylpentyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
CID 137408946

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (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) is (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine is Cc1nn(C)cc1-c1ccc(CNC2[C@H]3CN(CC4CCCCC4)C[C@@H]23)nn1.
What is the InChIKey of (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is OJXYEXAKCRMEKB-RLAPIPATSA-N. The full InChI is InChI=1S/C22H32N6/c1-15-18(12-27(2)26-15)21-9-8-17(24-25-21)10-23-22-19-13-28(14-20(19)22)11-16-6-4-3-5-7-16/h8-9,12,16,19-20,22-23H,3-7,10-11,13-14H2,1-2H3/t19-,20+,22?.
What are the key properties of (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
(1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 380.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(cyclohexylmethyl)-N-[[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 139371308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).