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

C16H14Cl2N6O4 — CID 163293529

IUPAC6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCN(C)c1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)c[nH]c1=O
InChIInChI=1S/C16H14Cl2N6O4/c1-23(2)11-5-8(6-20-14(11)25)28-12-9(17)3-7(4-10(12)18)24-16(27)21-15(26)13(19)22-24/h3-6H,1-2H3,(H2,19,22)(H,20,25)(H,21,26,27)
InChIKeyBIVJNFFANKOLPL-UHFFFAOYSA-N
MW425.23 g/mol
LogP1.36
Rot. Bonds4

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

6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 163293529) has the molecular formula C16H14Cl2N6O4 and a molecular weight of 425.23 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID163293529
Molecular FormulaC16H14Cl2N6O4
Molecular Weight425.23 g/mol
Exact Mass424.05
IUPAC Name6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCN(C)c1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)c[nH]c1=O
InChIInChI=1S/C16H14Cl2N6O4/c1-23(2)11-5-8(6-20-14(11)25)28-12-9(17)3-7(4-10(12)18)24-16(27)21-15(26)13(19)22-24/h3-6H,1-2H3,(H2,19,22)(H,20,25)(H,21,26,27)
InChIKeyBIVJNFFANKOLPL-UHFFFAOYSA-N
XLogP1.36
TPSA139.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-amino-2-[3,5-dichloro-4-[(7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 164765797
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
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
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-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293556
6-amino-2-[4-[[5-(1-bicyclo[2.1.1]hexanyl)-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 155268244
6-amino-2-[3,5-dichloro-4-[[4-(3-ethylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268471
6-amino-2-[3,5-dichloro-4-(1-oxospiro[5,6-dihydro-2H-cyclopenta[d]pyridazine-7,1'-cyclopentane]-4-yl)oxyphenyl]-1,2,4-triazine-3,5-dione
CID 163293567
2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
CID 166847894
2-[4-(4-aminobenzene-5-id-1-yl)oxy-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;yttrium
CID 164942915
cis-(1S,2S)-2-[3-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile
CID 155268327

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 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) is 6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-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-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is CN(C)c1cc(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-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is BIVJNFFANKOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O4/c1-23(2)11-5-8(6-20-14(11)25)28-12-9(17)3-7(4-10(12)18)24-16(27)21-15(26)13(19)22-24/h3-6H,1-2H3,(H2,19,22)(H,20,25)(H,21,26,27).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 425.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 163293529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).