2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one

C11H16N2O — CID 146189239

IUPAC2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCC(C)n1ncc2c(c1=O)CCCC2
InChIInChI=1S/C11H16N2O/c1-8(2)13-11(14)10-6-4-3-5-9(10)7-12-13/h7-8H,3-6H2,1-2H3
InChIKeyUGBYTMJJNFTSCZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.70
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one

2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one (PubChem CID 146189239) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
PubChem CID146189239
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
SMILESCC(C)n1ncc2c(c1=O)CCCC2
InChIInChI=1S/C11H16N2O/c1-8(2)13-11(14)10-6-4-3-5-9(10)7-12-13/h7-8H,3-6H2,1-2H3
InChIKeyUGBYTMJJNFTSCZ-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one (CID 146189239) is 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one is CC(C)n1ncc2c(c1=O)CCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one?
The InChIKey is UGBYTMJJNFTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)13-11(14)10-6-4-3-5-9(10)7-12-13/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one?
2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one is sourced from PubChem (CID 146189239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).