6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C13H14F3N5O — CID 126708664

IUPAC6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)8-2-1-5-20(7-8)11-4-3-10-18-6-9(12(17)22)21(10)19-11/h3-4,6,8H,1-2,5,7H2,(H2,17,22)
InChIKeyFHXRWVSBVMQHPC-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.61
Rot. Bonds2

About 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126708664) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126708664
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12
InChIInChI=1S/C13H14F3N5O/c14-13(15,16)8-2-1-5-20(7-8)11-4-3-10-18-6-9(12(17)22)21(10)19-11/h3-4,6,8H,1-2,5,7H2,(H2,17,22)
InChIKeyFHXRWVSBVMQHPC-UHFFFAOYSA-N
XLogP1.61
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 126708664) is 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12.
What is the InChIKey of 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is FHXRWVSBVMQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c14-13(15,16)8-2-1-5-20(7-8)11-4-3-10-18-6-9(12(17)22)21(10)19-11/h3-4,6,8H,1-2,5,7H2,(H2,17,22).
What are the key properties of 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126708664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).