5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine

C41H49Cl3N10O4 — CID 158679257

IUPAC5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(N)cnc2C)cc1C1CCOCC1.Cc1ncc(N)cc1-c1cc(C2CCOCC2)c(Cl)nn1.Clc1cc(C2CCOCC2)c(Cl)nn1
InChIInChI=1S/C17H22N4O2.C15H17ClN4O.C9H10Cl2N2O/c1-3-23-17-15(12-4-6-22-7-5-12)9-16(20-21-17)14-8-13(18)10-19-11(14)2;1-9-12(6-11(17)8-18-9)14-7-13(15(16)20-19-14)10-2-4-21-5-3-10;10-8-5-7(9(11)13-12-8)6-1-3-14-4-2-6/h8-10,12H,3-7,18H2,1-2H3;6-8,10H,2-5,17H2,1H3;5-6H,1-4H2
InChIKeyIEXJVJBDORCLKP-UHFFFAOYSA-N
MW852.27 g/mol
LogP8.38
Rot. Bonds7

About 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine

5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine (PubChem CID 158679257) has the molecular formula C41H49Cl3N10O4 and a molecular weight of 852.27 g/mol. Its IUPAC name is 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
PubChem CID158679257
Molecular FormulaC41H49Cl3N10O4
Molecular Weight852.27 g/mol
Exact Mass850.30
IUPAC Name5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(N)cnc2C)cc1C1CCOCC1.Cc1ncc(N)cc1-c1cc(C2CCOCC2)c(Cl)nn1.Clc1cc(C2CCOCC2)c(Cl)nn1
InChIInChI=1S/C17H22N4O2.C15H17ClN4O.C9H10Cl2N2O/c1-3-23-17-15(12-4-6-22-7-5-12)9-16(20-21-17)14-8-13(18)10-19-11(14)2;1-9-12(6-11(17)8-18-9)14-7-13(15(16)20-19-14)10-2-4-21-5-3-10;10-8-5-7(9(11)13-12-8)6-1-3-14-4-2-6/h8-10,12H,3-7,18H2,1-2H3;6-8,10H,2-5,17H2,1H3;5-6H,1-4H2
InChIKeyIEXJVJBDORCLKP-UHFFFAOYSA-N
XLogP8.38
TPSA192.08 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.27
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 162148660
5-[6-Ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
CID 118949070
4-[5-(5-Chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine
CID 130178701
2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
CID 157360478
4-Chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine
CID 157627330
5-[6-Chloro-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine;5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
CID 157806003
6-Chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dichloro-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 157943185
4-(6-Chloro-3-propan-2-yloxypyridazin-4-yl)morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;methane;6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)pyridin-3-amine
CID 158562389
4-chloro-6-(2-ethoxy-3-pyridinyl)-2-methylpyridin-3-amine;7-chloro-5-(2-ethoxy-3-pyridinyl)-1H-pyrazolo[4,5-b]pyridine
CID 159644901
2,4-Dichloro-5-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 159689880
4-[6-Chloro-3-(2,2-difluoroethoxy)pyridazin-4-yl]morpholine;4-(3,6-dichloropyridazin-4-yl)morpholine;5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methylpyridin-3-amine
CID 160009372
2-Chloro-5-propan-2-ylpyridine;2,4-dichloro-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 160352895

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
The IUPAC name of 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine (CID 158679257) is 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine.
What is the SMILES notation for 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
The canonical SMILES for 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine is CCOc1nnc(-c2cc(N)cnc2C)cc1C1CCOCC1.Cc1ncc(N)cc1-c1cc(C2CCOCC2)c(Cl)nn1.Clc1cc(C2CCOCC2)c(Cl)nn1.
What is the InChIKey of 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
The InChIKey is IEXJVJBDORCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.C15H17ClN4O.C9H10Cl2N2O/c1-3-23-17-15(12-4-6-22-7-5-12)9-16(20-21-17)14-8-13(18)10-19-11(14)2;1-9-12(6-11(17)8-18-9)14-7-13(15(16)20-19-14)10-2-4-21-5-3-10;10-8-5-7(9(11)13-12-8)6-1-3-14-4-2-6/h8-10,12H,3-7,18H2,1-2H3;6-8,10H,2-5,17H2,1H3;5-6H,1-4H2.
What are the key properties of 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine has a molecular weight of 852.27 g/mol, XLogP of 8.38, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine;3,6-dichloro-4-(oxan-4-yl)pyridazine;5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 158679257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).