4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile

C20H15F3N6O2 — CID 78322801

IUPAC4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)14-3-6-17(25-12-14)31-15-4-1-13(2-5-15)18-26-16(11-24)27-19(28-18)29-7-9-30-10-8-29/h1-6,12H,7-10H2
InChIKeyNOVDRUURHFEDJD-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.45
Rot. Bonds4

About 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile

4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile (PubChem CID 78322801) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile
PubChem CID78322801
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC Name4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H15F3N6O2/c21-20(22,23)14-3-6-17(25-12-14)31-15-4-1-13(2-5-15)18-26-16(11-24)27-19(28-18)29-7-9-30-10-8-29/h1-6,12H,7-10H2
InChIKeyNOVDRUURHFEDJD-UHFFFAOYSA-N
XLogP3.45
TPSA97.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile (CID 78322801) is 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile is N#Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile?
The InChIKey is NOVDRUURHFEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c21-20(22,23)14-3-6-17(25-12-14)31-15-4-1-13(2-5-15)18-26-16(11-24)27-19(28-18)29-7-9-30-10-8-29/h1-6,12H,7-10H2.
What are the key properties of 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile?
4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile has a molecular weight of 428.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 78322801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).