N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide

C19H24F3N5O2 — CID 11258405

IUPACN-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)C3CC3C(F)(F)F)CC2)nn1
InChIInChI=1S/C19H24F3N5O2/c20-19(21,22)14-11-13(14)18(29)27-9-7-26(8-10-27)16-4-3-15(24-25-16)17(28)23-6-5-12-1-2-12/h3-4,12-14H,1-2,5-11H2,(H,23,28)
InChIKeyHQXYLBNTDXQOKS-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.85
Rot. Bonds6

About N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11258405) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11258405
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)C3CC3C(F)(F)F)CC2)nn1
InChIInChI=1S/C19H24F3N5O2/c20-19(21,22)14-11-13(14)18(29)27-9-7-26(8-10-27)16-4-3-15(24-25-16)17(28)23-6-5-12-1-2-12/h3-4,12-14H,1-2,5-11H2,(H,23,28)
InChIKeyHQXYLBNTDXQOKS-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide (CID 11258405) is N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)C3CC3C(F)(F)F)CC2)nn1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is HQXYLBNTDXQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c20-19(21,22)14-11-13(14)18(29)27-9-7-26(8-10-27)16-4-3-15(24-25-16)17(28)23-6-5-12-1-2-12/h3-4,12-14H,1-2,5-11H2,(H,23,28).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11258405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).