5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione

C11H13N3O3 — CID 11557718

IUPAC5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCCONc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C11H13N3O3/c1-2-6-17-14-8-5-3-4-7-9(8)11(16)13-12-10(7)15/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyGNCJVKQKFQBUJP-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.97
Rot. Bonds4

About 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione

5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 11557718) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID11557718
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCCONc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C11H13N3O3/c1-2-6-17-14-8-5-3-4-7-9(8)11(16)13-12-10(7)15/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16)
InChIKeyGNCJVKQKFQBUJP-UHFFFAOYSA-N
XLogP0.97
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide
CID 64592343
5-(3-methylpentan-2-ylamino)-2,3-dihydrophthalazine-1,4-dione
CID 43201114
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-propylurea
CID 110749128
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3,4,5-tridodecoxybenzamide
CID 102110736
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
CID 43824682
5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,3-dihydrophthalazine-1,4-dione
CID 81412198
propan-2-yl N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamate
CID 116653958
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 110734424
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458

Frequently Asked Questions

What is the IUPAC name of 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione (CID 11557718) is 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione is CCCONc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is GNCJVKQKFQBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-6-17-14-8-5-3-4-7-9(8)11(16)13-12-10(7)15/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione?
5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 11557718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).