N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine

C15H14F3N3O2 — CID 135122736

IUPACN-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
SMILESC=CCOc1ccc(N(C)c2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C15H14F3N3O2/c1-3-10-22-14-9-8-13(19-20-14)21(2)11-4-6-12(7-5-11)23-15(16,17)18/h3-9H,1,10H2,2H3
InChIKeyPHZXGXQIJAKFDP-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine

N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine (PubChem CID 135122736) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
PubChem CID135122736
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
SMILESC=CCOc1ccc(N(C)c2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C15H14F3N3O2/c1-3-10-22-14-9-8-13(19-20-14)21(2)11-4-6-12(7-5-11)23-15(16,17)18/h3-9H,1,10H2,2H3
InChIKeyPHZXGXQIJAKFDP-UHFFFAOYSA-N
XLogP3.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[6-[N-methyl-4-(trifluoromethoxy)anilino]pyridazin-3-yl]oxypropylideneamino]-3-(2-propan-2-ylphenyl)thiourea
CID 135122650
(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane
CID 176922237
6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile
CID 133433734
2,5-bis(prop-2-enoxy)pyridine
CID 18761916
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
5-(2,2-diethoxyethoxy)-N,4,6-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135122848
2-[4-[(E)-2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]ethenyl]cyclohexyl]-1,3-difluoro-5-prop-2-enoxybenzene
CID 122502105
N-methyl-5-(trifluoromethoxy)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 133490362
4-N-(2-chloropyrimidin-4-yl)-4-N-methyl-1-N-[2-methyl-2-[4-(trifluoromethoxy)phenyl]propyl]benzene-1,4-diamine
CID 144959204
5-bromo-2-N,3-N,3-N-trimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 135122445
N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 4111851
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine (CID 135122736) is N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine is C=CCOc1ccc(N(C)c2ccc(OC(F)(F)F)cc2)nn1.
What is the InChIKey of N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
The InChIKey is PHZXGXQIJAKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-3-10-22-14-9-8-13(19-20-14)21(2)11-4-6-12(7-5-11)23-15(16,17)18/h3-9H,1,10H2,2H3.
What are the key properties of N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine?
N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine has a molecular weight of 325.29 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-prop-2-enoxy-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine is sourced from PubChem (CID 135122736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).