8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C15H23N3 — CID 67965416

IUPAC8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(N2C3CCC2CC(C(C)C)C3)nn1
InChIInChI=1S/C15H23N3/c1-10(2)12-8-13-5-6-14(9-12)18(13)15-7-4-11(3)16-17-15/h4,7,10,12-14H,5-6,8-9H2,1-3H3
InChIKeyRTSDEJAUWJONTA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.19
Rot. Bonds2

About 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane

8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 67965416) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID67965416
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(N2C3CCC2CC(C(C)C)C3)nn1
InChIInChI=1S/C15H23N3/c1-10(2)12-8-13-5-6-14(9-12)18(13)15-7-4-11(3)16-17-15/h4,7,10,12-14H,5-6,8-9H2,1-3H3
InChIKeyRTSDEJAUWJONTA-UHFFFAOYSA-N
XLogP3.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 67965416) is 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane is Cc1ccc(N2C3CCC2CC(C(C)C)C3)nn1.
What is the InChIKey of 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is RTSDEJAUWJONTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)12-8-13-5-6-14(9-12)18(13)15-7-4-11(3)16-17-15/h4,7,10,12-14H,5-6,8-9H2,1-3H3.
What are the key properties of 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 245.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methylpyridazin-3-yl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67965416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).