6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)

C101H76Cl10F2N34O15 — CID 158171380

IUPAC6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5nnccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4(c5ccccc5)CC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CC(F)(F)C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4C#N)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4C#N)c(=O)[nH]n3)c(Cl)c2)N=C1N
InChIInChI=1S/C23H18Cl2N6O3.C22H14Cl2N8O3.2C19H15Cl2N7O3.C18H14Cl2F2N6O3/c1-12-20(26)30-31(22(33)27-12)14-9-16(24)19(17(25)10-14)34-18-11-15(21(32)29-28-18)23(7-8-23)13-5-3-2-4-6-13;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)11-2-3-17-12(6-11)4-5-26-28-17;2*1-8-17(23)27-28(19(30)24-8)10-4-13(20)16(14(21)5-10)31-15-6-12(18(29)26-25-15)11-3-2-9(11)7-22;1-7-15(23)27-28(17(30)24-7)9-2-11(19)14(12(20)3-9)31-13-4-10(16(29)26-25-13)8-5-18(21,22)6-8/h2-6,9-11H,1,7-8H2,(H2,26,30)(H,27,33)(H,29,32);2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2*4-6,9,11H,1-3H2,(H2,23,27)(H,24,30)(H,26,29);2-4,8H,1,5-6H2,(H2,23,27)(H,24,30)(H,26,29)
InChIKeyFXMLLEJRFHWNTE-UHFFFAOYSA-N
MW2398.47 g/mol
LogP18.16
Rot. Bonds21

About 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)

6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile) (PubChem CID 158171380) has the molecular formula C101H76Cl10F2N34O15 and a molecular weight of 2398.47 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile).

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)
PubChem CID158171380
Molecular FormulaC101H76Cl10F2N34O15
Molecular Weight2398.47 g/mol
Exact Mass2392.31
IUPAC Name6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5nnccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4(c5ccccc5)CC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CC(F)(F)C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4C#N)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4C#N)c(=O)[nH]n3)c(Cl)c2)N=C1N
InChIInChI=1S/C23H18Cl2N6O3.C22H14Cl2N8O3.2C19H15Cl2N7O3.C18H14Cl2F2N6O3/c1-12-20(26)30-31(22(33)27-12)14-9-16(24)19(17(25)10-14)34-18-11-15(21(32)29-28-18)23(7-8-23)13-5-3-2-4-6-13;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)11-2-3-17-12(6-11)4-5-26-28-17;2*1-8-17(23)27-28(19(30)24-8)10-4-13(20)16(14(21)5-10)31-15-6-12(18(29)26-25-15)11-3-2-9(11)7-22;1-7-15(23)27-28(17(30)24-7)9-2-11(19)14(12(20)3-9)31-13-4-10(16(29)26-25-13)8-5-18(21,22)6-8/h2-6,9-11H,1,7-8H2,(H2,26,30)(H,27,33)(H,29,32);2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2*4-6,9,11H,1-3H2,(H2,23,27)(H,24,30)(H,26,29);2-4,8H,1,5-6H2,(H2,23,27)(H,24,30)(H,26,29)
InChIKeyFXMLLEJRFHWNTE-UHFFFAOYSA-N
XLogP18.16
TPSA701.86 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002398.47
LogP ≤ 518.16
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile) (CID 158171380) is 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile).
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile) is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccc5nnccc5c4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4(c5ccccc5)CC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CC(F)(F)C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4C#N)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCC4C#N)c(=O)[nH]n3)c(Cl)c2)N=C1N.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)?
The InChIKey is FXMLLEJRFHWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N6O3.C22H14Cl2N8O3.2C19H15Cl2N7O3.C18H14Cl2F2N6O3/c1-12-20(26)30-31(22(33)27-12)14-9-16(24)19(17(25)10-14)34-18-11-15(21(32)29-28-18)23(7-8-23)13-5-3-2-4-6-13;1-10-20(25)31-32(22(34)27-10)13-7-15(23)19(16(24)8-13)35-18-9-14(21(33)30-29-18)11-2-3-17-12(6-11)4-5-26-28-17;2*1-8-17(23)27-28(19(30)24-8)10-4-13(20)16(14(21)5-10)31-15-6-12(18(29)26-25-15)11-3-2-9(11)7-22;1-7-15(23)27-28(17(30)24-7)9-2-11(19)14(12(20)3-9)31-13-4-10(16(29)26-25-13)8-5-18(21,22)6-8/h2-6,9-11H,1,7-8H2,(H2,26,30)(H,27,33)(H,29,32);2-9H,1H2,(H2,25,31)(H,27,34)(H,30,33);2*4-6,9,11H,1-3H2,(H2,23,27)(H,24,30)(H,26,29);2-4,8H,1,5-6H2,(H2,23,27)(H,24,30)(H,26,29).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile)?
6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile) has a molecular weight of 2398.47 g/mol, XLogP of 18.16, 21 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-6-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(3,3-difluorocyclobutyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(1-phenylcyclopropyl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;bis(2-[3-[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile) is sourced from PubChem (CID 158171380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).