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

C17H14Cl2F2N5O4P — CID 163293517

IUPAC6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-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)P
InChIInChI=1S/C17H14Cl2F2N5O4P/c1-7(17(20,21)31)25-6-9(2-3-12(25)27)30-13-10(18)4-8(5-11(13)19)26-16(29)23-15(28)14(22)24-26/h2-7H,31H2,1H3,(H2,22,24)(H,23,28,29)
InChIKeyNDISEMZHCAXTBM-UHFFFAOYSA-N
MW492.21 g/mol
LogP2.79
Rot. Bonds5

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

6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 163293517) has the molecular formula C17H14Cl2F2N5O4P and a molecular weight of 492.21 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID163293517
Molecular FormulaC17H14Cl2F2N5O4P
Molecular Weight492.21 g/mol
Exact Mass491.01
IUPAC Name6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-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)P
InChIInChI=1S/C17H14Cl2F2N5O4P/c1-7(17(20,21)31)25-6-9(2-3-12(25)27)30-13-10(18)4-8(5-11(13)19)26-16(29)23-15(28)14(22)24-26/h2-7H,31H2,1H3,(H2,22,24)(H,23,28,29)
InChIKeyNDISEMZHCAXTBM-UHFFFAOYSA-N
XLogP2.79
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.21
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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

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Related Compounds

butyl N-[2-[3,5-dichloro-4-[[6-oxo-1-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazin-6-yl]carbamate
CID 175716312
2-[3,5-dichloro-4-[[6-oxo-1-(1,1,3-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 175460483
6-amino-2-[3,5-dichloro-4-[4-methyl-3-[(Z)-2-methyl-5-oxohept-3-en-4-yl]phenoxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155720316
6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293529
6-amino-2-[3,5-dichloro-4-[4-methyl-2-(5-methylthiophen-2-yl)quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
CID 168966415
6-amino-2-[3,5-dichloro-4-[4-methyl-2-(6-methyl-3-pyridinyl)quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
CID 168966414
2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 164765815
2-[4-(4-aminobenzene-5-id-1-yl)oxy-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;yttrium
CID 164942915
2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
CID 166847894
2-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 162137288
2-[3,5-dichloro-4-[[1-(furan-2-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 167274111
2-[3,5-dichloro-4-[4-methyl-3-[(Z)-1,1,1-trifluoro-2-methylhept-3-en-3-yl]phenoxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethane
CID 155720273

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 163293517) is 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-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)P.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is NDISEMZHCAXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N5O4P/c1-7(17(20,21)31)25-6-9(2-3-12(25)27)30-13-10(18)4-8(5-11(13)19)26-16(29)23-15(28)14(22)24-26/h2-7H,31H2,1H3,(H2,22,24)(H,23,28,29).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 492.21 g/mol, XLogP of 2.79, 5 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-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 163293517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).