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

C17H17N3O2 — CID 43824682

IUPAC5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-13(11-7-4-3-5-8-11)18-14-10-6-9-12-15(14)17(22)20-19-16(12)21/h3-10,13,18H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyIVZBJAYEFTZWFR-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.78
Rot. Bonds4

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

5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 43824682) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID43824682
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-13(11-7-4-3-5-8-11)18-14-10-6-9-12-15(14)17(22)20-19-16(12)21/h3-10,13,18H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyIVZBJAYEFTZWFR-UHFFFAOYSA-N
XLogP2.78
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
CID 43824689
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide
CID 64592343
5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione
CID 11557718
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
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-(methylamino)propanamide
CID 62639645
3-(1-phenylpropylamino)-2-sulfobenzoic acid
CID 56614931
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione (CID 43824682) is 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione is CCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccccc1.
What is the InChIKey of 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is IVZBJAYEFTZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-13(11-7-4-3-5-8-11)18-14-10-6-9-12-15(14)17(22)20-19-16(12)21/h3-10,13,18H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione?
5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 295.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 43824682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).