2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide

C19H17F3N6O2 — CID 126709106

IUPAC2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccnn2)N2NC(c3ccccc3OC(F)(F)F)C=CC2N1
InChIInChI=1S/C19H17F3N6O2/c1-11-17(18(29)25-15-7-4-10-23-26-15)28-16(24-11)9-8-13(27-28)12-5-2-3-6-14(12)30-19(20,21)22/h2-10,13,16,24,27H,1H3,(H,25,26,29)
InChIKeyAFXQSBNJBXZFTC-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide

2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709106) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709106
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccnn2)N2NC(c3ccccc3OC(F)(F)F)C=CC2N1
InChIInChI=1S/C19H17F3N6O2/c1-11-17(18(29)25-15-7-4-10-23-26-15)28-16(24-11)9-8-13(27-28)12-5-2-3-6-14(12)30-19(20,21)22/h2-10,13,16,24,27H,1H3,(H,25,26,29)
InChIKeyAFXQSBNJBXZFTC-UHFFFAOYSA-N
XLogP2.59
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709106) is 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide is CC1=C(C(=O)Nc2cccnn2)N2NC(c3ccccc3OC(F)(F)F)C=CC2N1.
What is the InChIKey of 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is AFXQSBNJBXZFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-11-17(18(29)25-15-7-4-10-23-26-15)28-16(24-11)9-8-13(27-28)12-5-2-3-6-14(12)30-19(20,21)22/h2-10,13,16,24,27H,1H3,(H,25,26,29).
What are the key properties of 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide?
2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridazin-3-yl-6-[2-(trifluoromethoxy)phenyl]-1,5,6,8a-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).