4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide

C18H15F3N6O3 — CID 77461276

IUPAC4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(NCCO)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C18H15F3N6O3/c19-18(20,21)11-3-6-13(24-9-11)30-12-4-1-10(2-5-12)15-25-16(14(22)29)27-17(26-15)23-7-8-28/h1-6,9,28H,7-8H2,(H2,22,29)(H,23,25,26,27)
InChIKeyFLFUTUZTKKPZOS-UHFFFAOYSA-N
MW420.35 g/mol
LogP2.25
Rot. Bonds7

About 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide

4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide (PubChem CID 77461276) has the molecular formula C18H15F3N6O3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide
PubChem CID77461276
Molecular FormulaC18H15F3N6O3
Molecular Weight420.35 g/mol
Exact Mass420.12
IUPAC Name4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(NCCO)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C18H15F3N6O3/c19-18(20,21)11-3-6-13(24-9-11)30-12-4-1-10(2-5-12)15-25-16(14(22)29)27-17(26-15)23-7-8-28/h1-6,9,28H,7-8H2,(H2,22,29)(H,23,25,26,27)
InChIKeyFLFUTUZTKKPZOS-UHFFFAOYSA-N
XLogP2.25
TPSA136.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide (CID 77461276) is 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(NCCO)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
The InChIKey is FLFUTUZTKKPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O3/c19-18(20,21)11-3-6-13(24-9-11)30-12-4-1-10(2-5-12)15-25-16(14(22)29)27-17(26-15)23-7-8-28/h1-6,9,28H,7-8H2,(H2,22,29)(H,23,25,26,27).
What are the key properties of 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide?
4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 77461276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).