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

C18H27N3O2 — CID 10403545

IUPAC5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCCCCN(CCCCC)c1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H27N3O2/c1-3-5-7-12-21(13-8-6-4-2)15-11-9-10-14-16(15)18(23)20-19-17(14)22/h9-11H,3-8,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWSDOYBYJPDVLCK-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.40
Rot. Bonds9

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

5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 10403545) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID10403545
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESCCCCCN(CCCCC)c1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H27N3O2/c1-3-5-7-12-21(13-8-6-4-2)15-11-9-10-14-16(15)18(23)20-19-17(14)22/h9-11H,3-8,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWSDOYBYJPDVLCK-UHFFFAOYSA-N
XLogP3.40
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-octyl-2,3-dihydrophthalazine-1,4-dione
CID 102273443
N,N-dioctyldibenzothiophen-1-amine
CID 159643290
6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 118950494
1-(dipentylamino)anthracene-9,10-dione
CID 70291028
2,3-bis(dipentylamino)phenol
CID 67225665
5-(propoxyamino)-2,3-dihydrophthalazine-1,4-dione
CID 11557718
N,N-dipentylpyren-1-amine
CID 87211130
2-(dioctadecylamino)phenol
CID 67178725
2-chloro-N,N-dihexylaniline
CID 139723528
4-N,4-N,5-N,5-N-tetraheptyl-9H-fluorene-4,5-diamine
CID 67058500
2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
CID 126582498
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3,4,5-tridodecoxybenzamide
CID 102110736

Frequently Asked Questions

What is the IUPAC name of 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione (CID 10403545) is 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione is CCCCCN(CCCCC)c1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is WSDOYBYJPDVLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-5-7-12-21(13-8-6-4-2)15-11-9-10-14-16(15)18(23)20-19-17(14)22/h9-11H,3-8,12-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione?
5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 317.43 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 10403545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).