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

C17H14Cl2N6O4 — CID 163293556

IUPAC6-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
SMILESC[C@@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)n[nH]c(=O)c21
InChIInChI=1S/C17H14Cl2N6O4/c1-6-2-3-8-11(6)14(26)22-23-16(8)29-12-9(18)4-7(5-10(12)19)25-17(28)21-15(27)13(20)24-25/h4-6H,2-3H2,1H3,(H2,20,24)(H,22,26)(H,21,27,28)/t6-/m1/s1
InChIKeyBWAVFVPASXWWGI-ZCFIWIBFSA-N
MW437.24 g/mol
LogP1.74
Rot. Bonds3

About 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

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 (PubChem CID 163293556) has the molecular formula C17H14Cl2N6O4 and a molecular weight of 437.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID163293556
Molecular FormulaC17H14Cl2N6O4
Molecular Weight437.24 g/mol
Exact Mass436.05
IUPAC Name6-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
SMILESC[C@@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)n[nH]c(=O)c21
InChIInChI=1S/C17H14Cl2N6O4/c1-6-2-3-8-11(6)14(26)22-23-16(8)29-12-9(18)4-7(5-10(12)19)25-17(28)21-15(27)13(20)24-25/h4-6H,2-3H2,1H3,(H2,20,24)(H,22,26)(H,21,27,28)/t6-/m1/s1
InChIKeyBWAVFVPASXWWGI-ZCFIWIBFSA-N
XLogP1.74
TPSA148.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[(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-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-[(5-methoxy-4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 155363981
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-[3,5-dichloro-4-[[4-(3-ethylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268471
2-[3,5-dichloro-4-[(4-deuterio-6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[(6-oxo-5-propan-2-yl-1H-1,2,4-triazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-1,2,4-triazin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(4-fluoro-6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-1,2,4-triazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 159363846
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-chloro-4-[(5-cyclopentyl-6-methylidene-1H-pyridin-3-yl)oxy]-5-methylphenyl]-1,2,4-triazine-3,5-dione
CID 163293535
6-amino-2-[3,5-dichloro-4-[[5-[(5-hydroxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268472

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)n[nH]c(=O)c21.
What is the InChIKey of 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?
The InChIKey is BWAVFVPASXWWGI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C17H14Cl2N6O4/c1-6-2-3-8-11(6)14(26)22-23-16(8)29-12-9(18)4-7(5-10(12)19)25-17(28)21-15(27)13(20)24-25/h4-6H,2-3H2,1H3,(H2,20,24)(H,22,26)(H,21,27,28)/t6-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 437.24 g/mol, XLogP of 1.74, 3 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-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 163293556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).