5,6,7,8-tetrahydro-2H-phthalazin-1-one

C8H10N2O — CID 66875468

IUPAC5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]ncc2c1CCCC2
InChIInChI=1S/C8H10N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h5H,1-4H2,(H,10,11)
InChIKeyLHVFGQLBRNFHHS-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.65
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-phthalazin-1-one

5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 66875468) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID66875468
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]ncc2c1CCCC2
InChIInChI=1S/C8H10N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h5H,1-4H2,(H,10,11)
InChIKeyLHVFGQLBRNFHHS-UHFFFAOYSA-N
XLogP0.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 66875468) is 5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-phthalazin-1-one is O=c1[nH]ncc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is LHVFGQLBRNFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h5H,1-4H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-2H-phthalazin-1-one?
5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 66875468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).