N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide

C15H14F3N3O2 — CID 71910682

IUPACN,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide
SMILESCc1nnccc1C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H14F3N3O2/c1-10-12(7-8-19-20-10)14(22)21(2)9-11-5-3-4-6-13(11)23-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyLGANDRIWOATCTI-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.96
Rot. Bonds4

About N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide

N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide (PubChem CID 71910682) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide
PubChem CID71910682
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide
SMILESCc1nnccc1C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H14F3N3O2/c1-10-12(7-8-19-20-10)14(22)21(2)9-11-5-3-4-6-13(11)23-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyLGANDRIWOATCTI-UHFFFAOYSA-N
XLogP2.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide (CID 71910682) is N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide is Cc1nnccc1C(=O)N(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide?
The InChIKey is LGANDRIWOATCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-10-12(7-8-19-20-10)14(22)21(2)9-11-5-3-4-6-13(11)23-15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide?
N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 71910682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).