4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine

C18H22F2N4O2 — CID 154795407

IUPAC4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
SMILESCCc1nnc(N2CCOC(c3ccc(OC(F)F)cc3)C2)nc1CC
InChIInChI=1S/C18H22F2N4O2/c1-3-14-15(4-2)22-23-18(21-14)24-9-10-25-16(11-24)12-5-7-13(8-6-12)26-17(19)20/h5-8,16-17H,3-4,9-11H2,1-2H3
InChIKeyLBPXWUGPCJRRCI-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.18
Rot. Bonds6

About 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine

4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine (PubChem CID 154795407) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine.

Molecular Properties

Compound Name4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
PubChem CID154795407
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
SMILESCCc1nnc(N2CCOC(c3ccc(OC(F)F)cc3)C2)nc1CC
InChIInChI=1S/C18H22F2N4O2/c1-3-14-15(4-2)22-23-18(21-14)24-9-10-25-16(11-24)12-5-7-13(8-6-12)26-17(19)20/h5-8,16-17H,3-4,9-11H2,1-2H3
InChIKeyLBPXWUGPCJRRCI-UHFFFAOYSA-N
XLogP3.18
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
The IUPAC name of 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine (CID 154795407) is 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine.
What is the SMILES notation for 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
The canonical SMILES for 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine is CCc1nnc(N2CCOC(c3ccc(OC(F)F)cc3)C2)nc1CC.
What is the InChIKey of 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
The InChIKey is LBPXWUGPCJRRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-3-14-15(4-2)22-23-18(21-14)24-9-10-25-16(11-24)12-5-7-13(8-6-12)26-17(19)20/h5-8,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine has a molecular weight of 364.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-diethyl-1,2,4-triazin-3-yl)-2-[4-(difluoromethoxy)phenyl]morpholine is sourced from PubChem (CID 154795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).