1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C11H14F3N3O2 — CID 78786042

IUPAC1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O2/c1-2-3-6-17-9(18)5-4-8(16-17)10(19)15-7-11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H,15,19)
InChIKeyIOVOOLPYGYPRMR-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.34
Rot. Bonds5

About 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 78786042) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID78786042
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O2/c1-2-3-6-17-9(18)5-4-8(16-17)10(19)15-7-11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H,15,19)
InChIKeyIOVOOLPYGYPRMR-UHFFFAOYSA-N
XLogP1.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 78786042) is 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCC(F)(F)F)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is IOVOOLPYGYPRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-3-6-17-9(18)5-4-8(16-17)10(19)15-7-11(12,13)14/h4-5H,2-3,6-7H2,1H3,(H,15,19).
What are the key properties of 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 78786042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).