N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide

C14H18F3N5O — CID 153337855

IUPACN'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide
SMILESC=C/N=C(/Nc1cc(C(F)(F)F)cnn1)C(=C)N(C)CCOC
InChIInChI=1S/C14H18F3N5O/c1-5-18-13(10(2)22(3)6-7-23-4)20-12-8-11(9-19-21-12)14(15,16)17/h5,8-9H,1-2,6-7H2,3-4H3,(H,18,20,21)
InChIKeyDJOYAMFQYKXEKH-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.54
Rot. Bonds7

About N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide

N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide (PubChem CID 153337855) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide
PubChem CID153337855
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide
SMILESC=C/N=C(/Nc1cc(C(F)(F)F)cnn1)C(=C)N(C)CCOC
InChIInChI=1S/C14H18F3N5O/c1-5-18-13(10(2)22(3)6-7-23-4)20-12-8-11(9-19-21-12)14(15,16)17/h5,8-9H,1-2,6-7H2,3-4H3,(H,18,20,21)
InChIKeyDJOYAMFQYKXEKH-UHFFFAOYSA-N
XLogP2.54
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide?
The IUPAC name of N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide (CID 153337855) is N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide.
What is the SMILES notation for N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide?
The canonical SMILES for N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide is C=C/N=C(/Nc1cc(C(F)(F)F)cnn1)C(=C)N(C)CCOC.
What is the InChIKey of N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide?
The InChIKey is DJOYAMFQYKXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-5-18-13(10(2)22(3)6-7-23-4)20-12-8-11(9-19-21-12)14(15,16)17/h5,8-9H,1-2,6-7H2,3-4H3,(H,18,20,21).
What are the key properties of N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide?
N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide has a molecular weight of 329.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide is sourced from PubChem (CID 153337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).