3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide

C13H14F5N5 — CID 118566917

IUPAC3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cn2c(CC)cnc2c(CCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C13H14F5N5/c1-2-7-5-21-11-8(3-4-12(14,15)13(16,17)18)22-9(10(19)20)6-23(7)11/h5-6H,2-4H2,1H3,(H3,19,20)
InChIKeyFCRRUIUBIPTBIM-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.71
Rot. Bonds5

About 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide

3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide (PubChem CID 118566917) has the molecular formula C13H14F5N5 and a molecular weight of 335.28 g/mol. Its IUPAC name is 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide.

Molecular Properties

Compound Name3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
PubChem CID118566917
Molecular FormulaC13H14F5N5
Molecular Weight335.28 g/mol
Exact Mass335.12
IUPAC Name3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cn2c(CC)cnc2c(CCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C13H14F5N5/c1-2-7-5-21-11-8(3-4-12(14,15)13(16,17)18)22-9(10(19)20)6-23(7)11/h5-6H,2-4H2,1H3,(H3,19,20)
InChIKeyFCRRUIUBIPTBIM-UHFFFAOYSA-N
XLogP2.71
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
CID 118561727
7-methyl-2-(3,3,4,4,4-pentafluorobutyl)pyrrolo[2,3-d]pyrimidine-4-carboximidamide
CID 122616751
3-chloro-1-methyl-6-(3,3,4,4,4-pentafluorobutyl)pyrazolo[3,4-d]pyrimidine-4-carboximidamide
CID 122616711
5-(3,3,4,4,4-pentafluorobutyl)-3-(trideuteriomethyl)triazolo[4,5-d]pyrimidine-7-carboximidamide
CID 122616759
5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86715168
1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86678983
2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)ethanimidamide
CID 83877973
6-bromo-3-ethylimidazo[1,2-a]pyridin-8-amine
CID 123565349
8-benzyl-2-methylimidazo[1,2-a]pyrazine-6-carboximidamide
CID 174338010
6-ethylpyridine-2-carboximidamide
CID 14253206
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732
2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-4-carboximidamide
CID 107550563

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
The IUPAC name of 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide (CID 118566917) is 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide.
What is the SMILES notation for 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
The canonical SMILES for 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide is [H]/N=C(\N)c1cn2c(CC)cnc2c(CCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
The InChIKey is FCRRUIUBIPTBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N5/c1-2-7-5-21-11-8(3-4-12(14,15)13(16,17)18)22-9(10(19)20)6-23(7)11/h5-6H,2-4H2,1H3,(H3,19,20).
What are the key properties of 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide has a molecular weight of 335.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide is sourced from PubChem (CID 118566917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).