6-(propylamino)-2,3-dihydrophthalazine-1,4-dione

C11H13N3O2 — CID 25220818

IUPAC6-(propylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCCNc1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C11H13N3O2/c1-2-5-12-7-3-4-8-9(6-7)11(16)14-13-10(8)15/h3-4,6,12H,2,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyPGQOPOZRKLAWGY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.04
Rot. Bonds3

About 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione

6-(propylamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 25220818) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name6-(propylamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID25220818
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-(propylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCCNc1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C11H13N3O2/c1-2-5-12-7-3-4-8-9(6-7)11(16)14-13-10(8)15/h3-4,6,12H,2,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyPGQOPOZRKLAWGY-UHFFFAOYSA-N
XLogP1.04
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)methanethioamide
CID 177332502
6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
CID 58936020
6-(4-aminobutan-2-ylamino)-2,3-dihydrophthalazine-1,4-dione
CID 23116537
3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanoylazanide;yttrium
CID 58936130
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 110745630
6-methyl-N-propylphenanthridin-8-amine
CID 102572857
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 110734574
3-bromo-4-fluoro-N-propylaniline
CID 104776158
2-fluoro-4-(propylamino)phenol
CID 64780527
4-chloro-N-propylisoquinolin-6-amine
CID 145136240
2-(ethylamino)-5H-phenanthridin-6-one
CID 16728034
6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione
CID 100989975

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione (CID 25220818) is 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione is CCCNc1ccc2c(=O)[nH][nH]c(=O)c2c1.
What is the InChIKey of 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is PGQOPOZRKLAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-5-12-7-3-4-8-9(6-7)11(16)14-13-10(8)15/h3-4,6,12H,2,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione?
6-(propylamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 219.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 25220818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).