5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide

C7H9F2N5O — CID 136959640

IUPAC5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(NCC(F)F)cn1
InChIInChI=1S/C7H9F2N5O/c8-5(9)2-13-6-3-11-4(1-12-6)7(10)14-15/h1,3,5,15H,2H2,(H2,10,14)(H,12,13)
InChIKeyPPIQUVMFTMWGAE-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.25
Rot. Bonds4

About 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide

5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 136959640) has the molecular formula C7H9F2N5O and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID136959640
Molecular FormulaC7H9F2N5O
Molecular Weight217.18 g/mol
Exact Mass217.08
IUPAC Name5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(NCC(F)F)cn1
InChIInChI=1S/C7H9F2N5O/c8-5(9)2-13-6-3-11-4(1-12-6)7(10)14-15/h1,3,5,15H,2H2,(H2,10,14)(H,12,13)
InChIKeyPPIQUVMFTMWGAE-UHFFFAOYSA-N
XLogP0.25
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.25
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-Dihydropteridine
CID 45080412
2-Methyl-1,4-dihydropteridine
CID 45080413
Pyrazine, 2-amidino-3-methylamino-
CID 23422086
Pteridine, 3,4-dihydro-6-methyl-
CID 45080411
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695
2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrazine
CID 46837492
N-methyl-5-(trifluoromethyl)pyrazin-2-amine
CID 57930543
5-[(2,2-Difluoroethyl)amino]pyrazine-2-carbonitrile
CID 86767801
6-(difluoromethyl)-N,3-dimethylpyrazin-2-amine
CID 89976644
6-N-propan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391842
6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391845

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide (CID 136959640) is 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cnc(NCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is PPIQUVMFTMWGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N5O/c8-5(9)2-13-6-3-11-4(1-12-6)7(10)14-15/h1,3,5,15H,2H2,(H2,10,14)(H,12,13).
What are the key properties of 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide?
5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 217.18 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylamino)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 136959640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).