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

C22H28N6 — CID 139371426

IUPAC3-(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
SMILESCc1nn(C)cc1-c1ccc(NC2C3CN(CC4CC5C=CC4C5)CC32)nn1
InChIInChI=1S/C22H28N6/c1-13-17(10-27(2)26-13)20-5-6-21(25-24-20)23-22-18-11-28(12-19(18)22)9-16-8-14-3-4-15(16)7-14/h3-6,10,14-16,18-19,22H,7-9,11-12H2,1-2H3,(H,23,25)
InChIKeyHRANIKTUENRHRW-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.74
Rot. Bonds5

About 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

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 (PubChem CID 139371426) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID139371426
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name3-(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
SMILESCc1nn(C)cc1-c1ccc(NC2C3CN(CC4CC5C=CC4C5)CC32)nn1
InChIInChI=1S/C22H28N6/c1-13-17(10-27(2)26-13)20-5-6-21(25-24-20)23-22-18-11-28(12-19(18)22)9-16-8-14-3-4-15(16)7-14/h3-6,10,14-16,18-19,22H,7-9,11-12H2,1-2H3,(H,23,25)
InChIKeyHRANIKTUENRHRW-UHFFFAOYSA-N
XLogP2.74
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)cc1-c1ccc(NC2C3CN(CC4CC5C=CC4C5)CC32)nn1.
What is the InChIKey of 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?
The InChIKey is HRANIKTUENRHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-13-17(10-27(2)26-13)20-5-6-21(25-24-20)23-22-18-11-28(12-19(18)22)9-16-8-14-3-4-15(16)7-14/h3-6,10,14-16,18-19,22H,7-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of 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?
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 has a molecular weight of 376.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139371426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).