6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione

C15H22N4O2 — CID 118950494

IUPAC6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCCCCCN(CC)c1cc2c(=O)[nH][nH]c(=O)c2cc1N
InChIInChI=1S/C15H22N4O2/c1-3-5-6-7-19(4-2)13-9-11-10(8-12(13)16)14(20)17-18-15(11)21/h8-9H,3-7,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyWRHRFKQZVOBADP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.82
Rot. Bonds6

About 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione

6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 118950494) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione
PubChem CID118950494
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCCCCCN(CC)c1cc2c(=O)[nH][nH]c(=O)c2cc1N
InChIInChI=1S/C15H22N4O2/c1-3-5-6-7-19(4-2)13-9-11-10(8-12(13)16)14(20)17-18-15(11)21/h8-9H,3-7,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyWRHRFKQZVOBADP-UHFFFAOYSA-N
XLogP1.82
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449753
5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione
CID 10403545
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
7-amino-6-[methyl(pentyl)amino]-4H-1,4-benzoxazin-3-one
CID 43479334
2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
CID 25223449
N'-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butyl]butanediamide
CID 123191277
5-amino-4-[ethyl(3-hydroxypropyl)amino]-2-fluorobenzoic acid
CID 113468587

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione (CID 118950494) is 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione is CCCCCN(CC)c1cc2c(=O)[nH][nH]c(=O)c2cc1N.
What is the InChIKey of 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is WRHRFKQZVOBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-5-6-7-19(4-2)13-9-11-10(8-12(13)16)14(20)17-18-15(11)21/h8-9H,3-7,16H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione?
6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 290.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[ethyl(pentyl)amino]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 118950494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).