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

C15H19N3O3 — CID 43761185

IUPAC5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCOC1CCCCC1Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C15H19N3O3/c1-21-12-8-3-2-6-10(12)16-11-7-4-5-9-13(11)15(20)18-17-14(9)19/h4-5,7,10,12,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyCVMQGLCQGJKVNY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.59
Rot. Bonds3

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

5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 43761185) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
PubChem CID43761185
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
SMILESCOC1CCCCC1Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C15H19N3O3/c1-21-12-8-3-2-6-10(12)16-11-7-4-5-9-13(11)15(20)18-17-14(9)19/h4-5,7,10,12,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyCVMQGLCQGJKVNY-UHFFFAOYSA-N
XLogP1.59
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione (CID 43761185) is 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione is COC1CCCCC1Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is CVMQGLCQGJKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-12-8-3-2-6-10(12)16-11-7-4-5-9-13(11)15(20)18-17-14(9)19/h4-5,7,10,12,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione?
5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 43761185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).