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

C18H15Cl2N5O4 — CID 164765797

IUPAC6-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
SMILESCC1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)c[nH]c(=O)c21
InChIInChI=1S/C18H15Cl2N5O4/c1-7-2-3-9-12(6-22-16(26)13(7)9)29-14-10(19)4-8(5-11(14)20)25-18(28)23-17(27)15(21)24-25/h4-7H,2-3H2,1H3,(H2,21,24)(H,22,26)(H,23,27,28)
InChIKeyQVQAXHTWXRJATJ-UHFFFAOYSA-N
MW436.26 g/mol
LogP2.34
Rot. Bonds3

About 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

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 (PubChem CID 164765797) has the molecular formula C18H15Cl2N5O4 and a molecular weight of 436.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID164765797
Molecular FormulaC18H15Cl2N5O4
Molecular Weight436.26 g/mol
Exact Mass435.05
IUPAC Name6-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
SMILESCC1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)c[nH]c(=O)c21
InChIInChI=1S/C18H15Cl2N5O4/c1-7-2-3-9-12(6-22-16(26)13(7)9)29-14-10(19)4-8(5-11(14)20)25-18(28)23-17(27)15(21)24-25/h4-7H,2-3H2,1H3,(H2,21,24)(H,22,26)(H,23,27,28)
InChIKeyQVQAXHTWXRJATJ-UHFFFAOYSA-N
XLogP2.34
TPSA135.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[3,5-dichloro-2-deuterio-4-[(7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293549
6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione
CID 164965311
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-(1-oxospiro[5,6-dihydro-2H-cyclopenta[d]pyridazine-7,1'-cyclopentane]-4-yl)oxyphenyl]-1,2,4-triazine-3,5-dione
CID 163293567
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
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
6-amino-2-[3-chloro-4-[(5-cyclopentyl-6-methylidene-1H-pyridin-3-yl)oxy]-5-methylphenyl]-1,2,4-triazine-3,5-dione
CID 163293535
2-[3,5-dichloro-4-[(3-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 164765809
6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 166843508
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
2-[3,5-dichloro-4-[(7-methyl-1-methylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]phenyl]-6-(2-methylbutan-2-yl)-1,2,4-triazine-3,5-dione
CID 167057626

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)c[nH]c(=O)c21.
What is the InChIKey of 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?
The InChIKey is QVQAXHTWXRJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O4/c1-7-2-3-9-12(6-22-16(26)13(7)9)29-14-10(19)4-8(5-11(14)20)25-18(28)23-17(27)15(21)24-25/h4-7H,2-3H2,1H3,(H2,21,24)(H,22,26)(H,23,27,28).
What are the key properties of 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?
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 has a molecular weight of 436.26 g/mol, XLogP of 2.34, 3 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-[(7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 164765797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).