6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine

C19H21ClF3N3O2 — CID 123264163

IUPAC6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
SMILESCOc1nnc(Cl)c(C)c1NCC1CCCC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C19H21ClF3N3O2/c1-11-16(18(27-2)26-25-17(11)20)24-10-14-4-3-5-15(28-14)12-6-8-13(9-7-12)19(21,22)23/h6-9,14-15H,3-5,10H2,1-2H3,(H,24,25)
InChIKeyCZMHXDKSYDJQFV-UHFFFAOYSA-N
MW415.84 g/mol
LogP5.19
Rot. Bonds5

About 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine

6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine (PubChem CID 123264163) has the molecular formula C19H21ClF3N3O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
PubChem CID123264163
Molecular FormulaC19H21ClF3N3O2
Molecular Weight415.84 g/mol
Exact Mass415.13
IUPAC Name6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
SMILESCOc1nnc(Cl)c(C)c1NCC1CCCC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C19H21ClF3N3O2/c1-11-16(18(27-2)26-25-17(11)20)24-10-14-4-3-5-15(28-14)12-6-8-13(9-7-12)19(21,22)23/h6-9,14-15H,3-5,10H2,1-2H3,(H,24,25)
InChIKeyCZMHXDKSYDJQFV-UHFFFAOYSA-N
XLogP5.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine with MolForge

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Related Compounds

6-chloro-3-methoxy-5-methyl-N-[[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
CID 88874251
6-chloro-3-methoxy-5-methyl-N-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
CID 88874080
6-chloro-3-methoxy-5-methyl-N-[[(1S,3R)-3-phenylcyclohexyl]methyl]pyridazin-4-amine
CID 88874178
2-methoxy-6-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 76669383
ethane;2-ethyl-6-[4-(trifluoromethyl)phenyl]oxane
CID 144591558
6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine
CID 76669350
6-chloro-N-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 58035098
[4-[[(3R,4R)-3-methoxyoxan-4-yl]-methylamino]piperidin-1-yl]-[5-methyl-6-[[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 90260581
[4-(5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)piperidin-1-yl]-[5-methyl-6-[[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 71502898
5-methoxy-6-[[6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 123487680
5-methyl-6-[[(6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 90360657
5-methyl-6-[[(2S,6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 68514829

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine?
The IUPAC name of 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine (CID 123264163) is 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine.
What is the SMILES notation for 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine?
The canonical SMILES for 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine is COc1nnc(Cl)c(C)c1NCC1CCCC(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine?
The InChIKey is CZMHXDKSYDJQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O2/c1-11-16(18(27-2)26-25-17(11)20)24-10-14-4-3-5-15(28-14)12-6-8-13(9-7-12)19(21,22)23/h6-9,14-15H,3-5,10H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine?
6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine has a molecular weight of 415.84 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine is sourced from PubChem (CID 123264163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).