N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide

C12H14F3N5 — CID 156830873

IUPACN'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide
SMILESC=C/N=C(\N=C)C(C)NCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H14F3N5/c1-4-17-11(16-3)8(2)18-7-9-5-6-10(20-19-9)12(13,14)15/h4-6,8,18H,1,3,7H2,2H3/b17-11-
InChIKeyODZADQFVSRUZHX-BOPFTXTBSA-N
MW285.27 g/mol
LogP2.22
Rot. Bonds5

About N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide

N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide (PubChem CID 156830873) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide
PubChem CID156830873
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide
SMILESC=C/N=C(\N=C)C(C)NCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H14F3N5/c1-4-17-11(16-3)8(2)18-7-9-5-6-10(20-19-9)12(13,14)15/h4-6,8,18H,1,3,7H2,2H3/b17-11-
InChIKeyODZADQFVSRUZHX-BOPFTXTBSA-N
XLogP2.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(6-fluoropyridazin-3-yl)methyl]ethane-1,2-diamine
CID 21698027
2-[[6-(Trifluoromethyl)pyridazin-3-yl]methylamino]ethanethiol
CID 21698269
N'-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethane-1,2-diamine
CID 21698478
5-(6-Fluoropyridazin-3-yl)pyrrolidin-3-amine
CID 129188399
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclopropanamine
CID 132175517
N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine
CID 163382634
N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine
CID 163382785
N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine
CID 163382809
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine
CID 163382810
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine
CID 163382825
(2R)-1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
CID 163382869
2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
CID 163382967

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide?
The IUPAC name of N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide (CID 156830873) is N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide.
What is the SMILES notation for N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide?
The canonical SMILES for N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide is C=C/N=C(\N=C)C(C)NCc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide?
The InChIKey is ODZADQFVSRUZHX-BOPFTXTBSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-4-17-11(16-3)8(2)18-7-9-5-6-10(20-19-9)12(13,14)15/h4-6,8,18H,1,3,7H2,2H3/b17-11-.
What are the key properties of N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide?
N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide has a molecular weight of 285.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methylidene-2-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]propanimidamide is sourced from PubChem (CID 156830873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).