6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide

C15H17F3N6O — CID 134813299

IUPAC6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)9-23-5-3-11(8-23)7-20-14(25)12-1-2-13(22-21-12)24-6-4-19-10-24/h1-2,4,6,10-11H,3,5,7-9H2,(H,20,25)
InChIKeyXXRWMEIPISJHKV-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.28
Rot. Bonds5

About 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide

6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide (PubChem CID 134813299) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
PubChem CID134813299
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)9-23-5-3-11(8-23)7-20-14(25)12-1-2-13(22-21-12)24-6-4-19-10-24/h1-2,4,6,10-11H,3,5,7-9H2,(H,20,25)
InChIKeyXXRWMEIPISJHKV-UHFFFAOYSA-N
XLogP1.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 107358771
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone
CID 138035562
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazole-3-carboxamide
CID 139006521
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
5-nitro-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 94797186
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-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide (CID 134813299) is 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is XXRWMEIPISJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c16-15(17,18)9-23-5-3-11(8-23)7-20-14(25)12-1-2-13(22-21-12)24-6-4-19-10-24/h1-2,4,6,10-11H,3,5,7-9H2,(H,20,25).
What are the key properties of 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 134813299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).