5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide

C9H13F2N5O2 — CID 136932114

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C9H13F2N5O2/c10-7(11)5-16(1-2-17)8-4-13-6(3-14-8)9(12)15-18/h3-4,7,17-18H,1-2,5H2,(H2,12,15)
InChIKeyMBEZXMRYEMRHQB-UHFFFAOYSA-N
MW261.23 g/mol
LogP-0.37
Rot. Bonds6

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 136932114) has the molecular formula C9H13F2N5O2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide
PubChem CID136932114
Molecular FormulaC9H13F2N5O2
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C9H13F2N5O2/c10-7(11)5-16(1-2-17)8-4-13-6(3-14-8)9(12)15-18/h3-4,7,17-18H,1-2,5H2,(H2,12,15)
InChIKeyMBEZXMRYEMRHQB-UHFFFAOYSA-N
XLogP-0.37
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide (CID 136932114) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide is NC(=NO)c1cnc(N(CCO)CC(F)F)cn1.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is MBEZXMRYEMRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5O2/c10-7(11)5-16(1-2-17)8-4-13-6(3-14-8)9(12)15-18/h3-4,7,17-18H,1-2,5H2,(H2,12,15).
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 261.23 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 136932114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).