2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159155224) has the molecular formula C64H68Cl3F3N12O9 and a molecular weight of 1312.68 g/mol. Its IUPAC name is 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name	2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID	159155224
Molecular Formula	C64H68Cl3F3N12O9
Molecular Weight	1312.68 g/mol
Exact Mass	1310.42
IUPAC Name	2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILES	CC1(c2cc(Cl)nnc2Cl)COC1.Cc1ccc(N)cc1-c1cc(C2(C)COC2)c(Cl)nn1.Cc1ccc(N)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1
InChI	InChI=1S/C24H23F3N4O4.C17H21N3O3.C15H16ClN3O.C8H8Cl2N2O/c1-14-3-4-16(29-21(33)15-5-6-28-20(9-15)24(25,26)27)10-17(14)19-11-18(23(2)12-34-13-23)22(31-30-19)35-8-7-32;1-11-3-4-12(18)7-13(11)15-8-14(17(2)9-22-10-17)16(20-19-15)23-6-5-21;1-9-3-4-10(17)5-11(9)13-6-12(14(16)19-18-13)15(2)7-20-8-15;1-8(3-13-4-8)5-2-6(9)11-12-7(5)10/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H,29,33);3-4,7-8,21H,5-6,9-10,18H2,1-2H3;3-6H,7-8,17H2,1-2H3;2H,3-4H2,1H3
InChIKey	KJUOUQGTUKWJOC-UHFFFAOYSA-N
XLogP	10.52
TPSA	292.99 Å²
H-Bond Donors	5
H-Bond Acceptors	20
Rotatable Bonds	15
Heavy Atoms	91
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1312.68
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Analyze 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159155224) is 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CC1(c2cc(Cl)nnc2Cl)COC1.Cc1ccc(N)cc1-c1cc(C2(C)COC2)c(Cl)nn1.Cc1ccc(N)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2(C)COC2)c(OCCO)nn1.

What is the InChIKey of 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is KJUOUQGTUKWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4.C17H21N3O3.C15H16ClN3O.C8H8Cl2N2O/c1-14-3-4-16(29-21(33)15-5-6-28-20(9-15)24(25,26)27)10-17(14)19-11-18(23(2)12-34-13-23)22(31-30-19)35-8-7-32;1-11-3-4-12(18)7-13(11)15-8-14(17(2)9-22-10-17)16(20-19-15)23-6-5-21;1-9-3-4-10(17)5-11(9)13-6-12(14(16)19-18-13)15(2)7-20-8-15;1-8(3-13-4-8)5-2-6(9)11-12-7(5)10/h3-6,9-11,32H,7-8,12-13H2,1-2H3,(H,29,33);3-4,7-8,21H,5-6,9-10,18H2,1-2H3;3-6H,7-8,17H2,1-2H3;2H,3-4H2,1H3.

What are the key properties of 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

Where does this data come from?

All data for 2-[6-(5-amino-2-methylphenyl)-4-(3-methyloxetan-3-yl)pyridazin-3-yl]oxyethanol;3-[6-chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylaniline;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;N-[3-[6-(2-hydroxyethoxy)-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159155224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).