2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C14H16F3N3O2 — CID 154762737

IUPAC2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1nc(C)cc(C(F)(F)F)c1=O
InChIInChI=1S/C14H16F3N3O2/c1-4-6-19(7-5-2)12(21)9-20-13(22)11(14(15,16)17)8-10(3)18-20/h4-5,8H,1-2,6-7,9H2,3H3
InChIKeyUEOGWWUIVRQLKA-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.77
Rot. Bonds6

About 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 154762737) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID154762737
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1nc(C)cc(C(F)(F)F)c1=O
InChIInChI=1S/C14H16F3N3O2/c1-4-6-19(7-5-2)12(21)9-20-13(22)11(14(15,16)17)8-10(3)18-20/h4-5,8H,1-2,6-7,9H2,3H3
InChIKeyUEOGWWUIVRQLKA-UHFFFAOYSA-N
XLogP1.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 154762737) is 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1nc(C)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is UEOGWWUIVRQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-4-6-19(7-5-2)12(21)9-20-13(22)11(14(15,16)17)8-10(3)18-20/h4-5,8H,1-2,6-7,9H2,3H3.
What are the key properties of 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 315.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 154762737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).