6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione

C17H12Cl2F3N5O4 — CID 163293507

IUPAC6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(n1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)ccc1=O)C(F)(F)F
InChIInChI=1S/C17H12Cl2F3N5O4/c1-7(17(20,21)22)26-6-9(2-3-12(26)28)31-13-10(18)4-8(5-11(13)19)27-16(30)24-15(29)14(23)25-27/h2-7H,1H3,(H2,23,25)(H,24,29,30)
InChIKeyUBUWTYYBBXQSOC-UHFFFAOYSA-N
MW478.21 g/mol
LogP2.89
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 163293507) has the molecular formula C17H12Cl2F3N5O4 and a molecular weight of 478.21 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID163293507
Molecular FormulaC17H12Cl2F3N5O4
Molecular Weight478.21 g/mol
Exact Mass477.02
IUPAC Name6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(n1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)ccc1=O)C(F)(F)F
InChIInChI=1S/C17H12Cl2F3N5O4/c1-7(17(20,21)22)26-6-9(2-3-12(26)28)31-13-10(18)4-8(5-11(13)19)27-16(30)24-15(29)14(23)25-27/h2-7H,1H3,(H2,23,25)(H,24,29,30)
InChIKeyUBUWTYYBBXQSOC-UHFFFAOYSA-N
XLogP2.89
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 163293507) is 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione is CC(n1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)ccc1=O)C(F)(F)F.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is UBUWTYYBBXQSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N5O4/c1-7(17(20,21)22)26-6-9(2-3-12(26)28)31-13-10(18)4-8(5-11(13)19)27-16(30)24-15(29)14(23)25-27/h2-7H,1H3,(H2,23,25)(H,24,29,30).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 478.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 163293507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).