8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

C16H19N3O — CID 63762996

IUPAC8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nnc(N2C3CCC2CC(O)C3)c2ccccc12
InChIInChI=1S/C16H19N3O/c1-10-14-4-2-3-5-15(14)16(18-17-10)19-11-6-7-12(19)9-13(20)8-11/h2-5,11-13,20H,6-9H2,1H3
InChIKeyAUUOXHIJOJDMGZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.43
Rot. Bonds1

About 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63762996) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63762996
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nnc(N2C3CCC2CC(O)C3)c2ccccc12
InChIInChI=1S/C16H19N3O/c1-10-14-4-2-3-5-15(14)16(18-17-10)19-11-6-7-12(19)9-13(20)8-11/h2-5,11-13,20H,6-9H2,1H3
InChIKeyAUUOXHIJOJDMGZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63762996) is 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1nnc(N2C3CCC2CC(O)C3)c2ccccc12.
What is the InChIKey of 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AUUOXHIJOJDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-14-4-2-3-5-15(14)16(18-17-10)19-11-6-7-12(19)9-13(20)8-11/h2-5,11-13,20H,6-9H2,1H3.
What are the key properties of 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 269.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphthalazin-1-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63762996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).