5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione

C16H21N3O2 — CID 64773910

IUPAC5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCC1CCC(C)C(Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1
InChIInChI=1S/C16H21N3O2/c1-9-6-7-10(2)13(8-9)17-12-5-3-4-11-14(12)16(21)19-18-15(11)20/h3-5,9-10,13,17H,6-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySTDLTJSSNZOOBI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds2

About 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione

5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 64773910) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
PubChem CID64773910
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCC1CCC(C)C(Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1
InChIInChI=1S/C16H21N3O2/c1-9-6-7-10(2)13(8-9)17-12-5-3-4-11-14(12)16(21)19-18-15(11)20/h3-5,9-10,13,17H,6-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySTDLTJSSNZOOBI-UHFFFAOYSA-N
XLogP2.45
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione (CID 64773910) is 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione is CC1CCC(C)C(Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1.
What is the InChIKey of 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is STDLTJSSNZOOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9-6-7-10(2)13(8-9)17-12-5-3-4-11-14(12)16(21)19-18-15(11)20/h3-5,9-10,13,17H,6-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 287.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylcyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 64773910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).