(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone

C12H10F3N5O — CID 138035562

IUPAC(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)nn1)N1CCC1C(F)(F)F
InChIInChI=1S/C12H10F3N5O/c13-12(14,15)9-3-5-20(9)11(21)8-1-2-10(18-17-8)19-6-4-16-7-19/h1-2,4,6-7,9H,3,5H2
InChIKeyHUEXEQBDHBUWBU-UHFFFAOYSA-N
MW297.24 g/mol
LogP1.44
Rot. Bonds2

About (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone

(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 138035562) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID138035562
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)nn1)N1CCC1C(F)(F)F
InChIInChI=1S/C12H10F3N5O/c13-12(14,15)9-3-5-20(9)11(21)8-1-2-10(18-17-8)19-6-4-16-7-19/h1-2,4,6-7,9H,3,5H2
InChIKeyHUEXEQBDHBUWBU-UHFFFAOYSA-N
XLogP1.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,4aR,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(6-imidazol-1-ylpyridazin-3-yl)methanone
CID 95140466
1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide
CID 121113995
6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
CID 134813299
N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
(6-fluoro-6-methyl-1,4-diazepan-1-yl)-(6-imidazol-1-ylpyridazin-3-yl)methanone
CID 138001605
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid
CID 139444181
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]cyclohexene-1-carboxylic acid
CID 139444254
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514811
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
CID 121114123

Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone (CID 138035562) is (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone is O=C(c1ccc(-n2ccnc2)nn1)N1CCC1C(F)(F)F.
What is the InChIKey of (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is HUEXEQBDHBUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c13-12(14,15)9-3-5-20(9)11(21)8-1-2-10(18-17-8)19-6-4-16-7-19/h1-2,4,6-7,9H,3,5H2.
What are the key properties of (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone?
(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 297.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 138035562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).