(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide

C11H13F3N4 — CID 153337957

IUPAC(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide
SMILESCC/C=C\C(=N/C)Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C11H13F3N4/c1-3-4-5-9(15-2)17-10-6-8(7-16-18-10)11(12,13)14/h4-7H,3H2,1-2H3,(H,15,17,18)/b5-4-
InChIKeyVTJARRURDRYLPG-PLNGDYQASA-N
MW258.25 g/mol
LogP2.90
Rot. Bonds3

About (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide

(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide (PubChem CID 153337957) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide
PubChem CID153337957
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide
SMILESCC/C=C\C(=N/C)Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C11H13F3N4/c1-3-4-5-9(15-2)17-10-6-8(7-16-18-10)11(12,13)14/h4-7H,3H2,1-2H3,(H,15,17,18)/b5-4-
InChIKeyVTJARRURDRYLPG-PLNGDYQASA-N
XLogP2.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
3-(Piperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 69039149
3-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 70812437
3-(4-Ethylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 133054880
N-Methyl-5-(trifluoromethyl)pyridazin-3-amine
CID 133063415
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]pyridazin-3-amine
CID 134542857
N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine
CID 134542860
N-[(3,3-difluoropiperidin-4-yl)methyl]pyridazin-3-amine;ethane
CID 142359893
5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
CID 147243129
N-pyridazin-3-yl-5-(trifluoromethyl)pyridazin-3-amine
CID 153035251
N'-ethenyl-2-[2-methoxyethyl(methyl)amino]-N-[5-(trifluoromethyl)pyridazin-3-yl]prop-2-enimidamide
CID 153337855

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide?
The IUPAC name of (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide (CID 153337957) is (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide.
What is the SMILES notation for (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide?
The canonical SMILES for (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide is CC/C=C\C(=N/C)Nc1cc(C(F)(F)F)cnn1.
What is the InChIKey of (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide?
The InChIKey is VTJARRURDRYLPG-PLNGDYQASA-N. The full InChI is InChI=1S/C11H13F3N4/c1-3-4-5-9(15-2)17-10-6-8(7-16-18-10)11(12,13)14/h4-7H,3H2,1-2H3,(H,15,17,18)/b5-4-.
What are the key properties of (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide?
(Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide has a molecular weight of 258.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-N-[5-(trifluoromethyl)pyridazin-3-yl]pent-2-enimidamide is sourced from PubChem (CID 153337957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).