propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate

C15H24N4O4 — CID 70730611

IUPACpropyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate
SMILESCCCOC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C15H24N4O4/c1-3-7-23-15(21)16-5-4-13-11-19(6-8-22-13)12-9-14(20)18(2)17-10-12/h9-10,13H,3-8,11H2,1-2H3,(H,16,21)
InChIKeyPYWQMNNEQYXOKK-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.51
Rot. Bonds6

About propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate

propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate (PubChem CID 70730611) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate
PubChem CID70730611
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Namepropyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate
SMILESCCCOC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C15H24N4O4/c1-3-7-23-15(21)16-5-4-13-11-19(6-8-22-13)12-9-14(20)18(2)17-10-12/h9-10,13H,3-8,11H2,1-2H3,(H,16,21)
InChIKeyPYWQMNNEQYXOKK-UHFFFAOYSA-N
XLogP0.51
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate?
The IUPAC name of propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate (CID 70730611) is propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate.
What is the SMILES notation for propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate?
The canonical SMILES for propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate is CCCOC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate?
The InChIKey is PYWQMNNEQYXOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-3-7-23-15(21)16-5-4-13-11-19(6-8-22-13)12-9-14(20)18(2)17-10-12/h9-10,13H,3-8,11H2,1-2H3,(H,16,21).
What are the key properties of propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate?
propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]carbamate is sourced from PubChem (CID 70730611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).