(6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C14H15F3N6O — CID 51105843

IUPAC(6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)nn1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)9-21-5-7-22(8-6-21)13(24)11-1-2-12(20-19-11)23-4-3-18-10-23/h1-4,10H,5-9H2
InChIKeyWJMXSOAZKWGPCN-UHFFFAOYSA-N
MW340.31 g/mol
LogP0.98
Rot. Bonds3

About (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 51105843) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID51105843
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name(6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)nn1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)9-21-5-7-22(8-6-21)13(24)11-1-2-12(20-19-11)23-4-3-18-10-23/h1-4,10H,5-9H2
InChIKeyWJMXSOAZKWGPCN-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 51105843) is (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1ccc(-n2ccnc2)nn1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is WJMXSOAZKWGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c15-14(16,17)9-21-5-7-22(8-6-21)13(24)11-1-2-12(20-19-11)23-4-3-18-10-23/h1-4,10H,5-9H2.
What are the key properties of (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 340.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-ylpyridazin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51105843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).