N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine

C14H15N3O — CID 80719667

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
SMILESc1ccc2c(NC3CC4CCC3O4)nncc2c1
InChIInChI=1S/C14H15N3O/c1-2-4-11-9(3-1)8-15-17-14(11)16-12-7-10-5-6-13(12)18-10/h1-4,8,10,12-13H,5-7H2,(H,16,17)
InChIKeyUEBKRWVFJOFAQM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.36
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine (PubChem CID 80719667) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
PubChem CID80719667
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
SMILESc1ccc2c(NC3CC4CCC3O4)nncc2c1
InChIInChI=1S/C14H15N3O/c1-2-4-11-9(3-1)8-15-17-14(11)16-12-7-10-5-6-13(12)18-10/h1-4,8,10,12-13H,5-7H2,(H,16,17)
InChIKeyUEBKRWVFJOFAQM-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine (CID 80719667) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine is c1ccc2c(NC3CC4CCC3O4)nncc2c1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine?
The InChIKey is UEBKRWVFJOFAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-11-9(3-1)8-15-17-14(11)16-12-7-10-5-6-13(12)18-10/h1-4,8,10,12-13H,5-7H2,(H,16,17).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine has a molecular weight of 241.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine is sourced from PubChem (CID 80719667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).