6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

C17H14Cl2FN5O4 — CID 163293541

IUPAC6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(C)c1c(F)c(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)c[nH]c1=O
InChIInChI=1S/C17H14Cl2FN5O4/c1-6(2)11-12(20)10(5-22-15(11)26)29-13-8(18)3-7(4-9(13)19)25-17(28)23-16(27)14(21)24-25/h3-6H,1-2H3,(H2,21,24)(H,22,26)(H,23,27,28)
InChIKeyOSVLZWWCWKIWIB-UHFFFAOYSA-N
MW442.23 g/mol
LogP2.55
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 163293541) has the molecular formula C17H14Cl2FN5O4 and a molecular weight of 442.23 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID163293541
Molecular FormulaC17H14Cl2FN5O4
Molecular Weight442.23 g/mol
Exact Mass441.04
IUPAC Name6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(C)c1c(F)c(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)c[nH]c1=O
InChIInChI=1S/C17H14Cl2FN5O4/c1-6(2)11-12(20)10(5-22-15(11)26)29-13-8(18)3-7(4-9(13)19)25-17(28)23-16(27)14(21)24-25/h3-6H,1-2H3,(H2,21,24)(H,22,26)(H,23,27,28)
InChIKeyOSVLZWWCWKIWIB-UHFFFAOYSA-N
XLogP2.55
TPSA135.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)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-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 163293541) is 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is CC(C)c1c(F)c(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)c[nH]c1=O.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is OSVLZWWCWKIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN5O4/c1-6(2)11-12(20)10(5-22-15(11)26)29-13-8(18)3-7(4-9(13)19)25-17(28)23-16(27)14(21)24-25/h3-6H,1-2H3,(H2,21,24)(H,22,26)(H,23,27,28).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 442.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 163293541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).