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

C12H12F5N5O — CID 118561727

IUPAC2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cn2cc(OC)nc2c(CCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C12H12F5N5O/c1-23-8-5-22-4-7(9(18)19)20-6(10(22)21-8)2-3-11(13,14)12(15,16)17/h4-5H,2-3H2,1H3,(H3,18,19)
InChIKeyCZKWAQLSSMXCAP-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.15
Rot. Bonds5

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

2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide (PubChem CID 118561727) has the molecular formula C12H12F5N5O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide.

Molecular Properties

Compound Name2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
PubChem CID118561727
Molecular FormulaC12H12F5N5O
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cn2cc(OC)nc2c(CCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C12H12F5N5O/c1-23-8-5-22-4-7(9(18)19)20-6(10(22)21-8)2-3-11(13,14)12(15,16)17/h4-5H,2-3H2,1H3,(H3,18,19)
InChIKeyCZKWAQLSSMXCAP-UHFFFAOYSA-N
XLogP2.15
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-ethyl-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide
CID 118566917
8-benzyl-2-methylimidazo[1,2-a]pyrazine-6-carboximidamide
CID 174338010
3-chloro-1-methyl-6-(3,3,4,4,4-pentafluorobutyl)pyrazolo[3,4-d]pyrimidine-4-carboximidamide
CID 122616711
7-methyl-2-(3,3,4,4,4-pentafluorobutyl)pyrrolo[2,3-d]pyrimidine-4-carboximidamide
CID 122616751
5-(3,3,4,4,4-pentafluorobutyl)-3-(trideuteriomethyl)triazolo[4,5-d]pyrimidine-7-carboximidamide
CID 122616759
1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86678983
6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
CID 66232264
5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86715168
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride
CID 163598898
2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-4-carboximidamide
CID 107550563

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
The IUPAC name of 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide (CID 118561727) is 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide.
What is the SMILES notation for 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
The canonical SMILES for 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide is [H]/N=C(\N)c1cn2cc(OC)nc2c(CCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
The InChIKey is CZKWAQLSSMXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5N5O/c1-23-8-5-22-4-7(9(18)19)20-6(10(22)21-8)2-3-11(13,14)12(15,16)17/h4-5H,2-3H2,1H3,(H3,18,19).
What are the key properties of 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide?
2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide has a molecular weight of 337.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide is sourced from PubChem (CID 118561727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).