2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine

C8H13F2N5 — CID 103061217

IUPAC2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine
SMILESCN(Cc1cnc(NN)cn1)CC(F)F
InChIInChI=1S/C8H13F2N5/c1-15(5-7(9)10)4-6-2-13-8(14-11)3-12-6/h2-3,7H,4-5,11H2,1H3,(H,13,14)
InChIKeyUOVLMDSZSULZTQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.46
Rot. Bonds5

About 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine

2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine (PubChem CID 103061217) has the molecular formula C8H13F2N5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine
PubChem CID103061217
Molecular FormulaC8H13F2N5
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine
SMILESCN(Cc1cnc(NN)cn1)CC(F)F
InChIInChI=1S/C8H13F2N5/c1-15(5-7(9)10)4-6-2-13-8(14-11)3-12-6/h2-3,7H,4-5,11H2,1H3,(H,13,14)
InChIKeyUOVLMDSZSULZTQ-UHFFFAOYSA-N
XLogP0.46
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine (CID 103061217) is 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine is CN(Cc1cnc(NN)cn1)CC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine?
The InChIKey is UOVLMDSZSULZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N5/c1-15(5-7(9)10)4-6-2-13-8(14-11)3-12-6/h2-3,7H,4-5,11H2,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine?
2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine has a molecular weight of 217.22 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 103061217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).