2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol

C9H15F2N5O — CID 107486351

IUPAC2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol
SMILESNNc1cnc(CN(CCO)CC(F)F)cn1
InChIInChI=1S/C9H15F2N5O/c10-8(11)6-16(1-2-17)5-7-3-14-9(15-12)4-13-7/h3-4,8,17H,1-2,5-6,12H2,(H,14,15)
InChIKeyYQVVOSKAQHFZEG-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.18
Rot. Bonds7

About 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol (PubChem CID 107486351) has the molecular formula C9H15F2N5O and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol
PubChem CID107486351
Molecular FormulaC9H15F2N5O
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol
SMILESNNc1cnc(CN(CCO)CC(F)F)cn1
InChIInChI=1S/C9H15F2N5O/c10-8(11)6-16(1-2-17)5-7-3-14-9(15-12)4-13-7/h3-4,8,17H,1-2,5-6,12H2,(H,14,15)
InChIKeyYQVVOSKAQHFZEG-UHFFFAOYSA-N
XLogP-0.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]propan-1-ol
CID 103061212
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
2-[(5-hydrazinylpyrazin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 103060565
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol
CID 107485139
N'-[(5-hydrazinylpyrazin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 103061005
2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide
CID 103060559
2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol
CID 103055873
N-[(5-hydrazinylpyrazin-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103060605
2-[(6-chloropyridazin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479149
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 103061186
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol (CID 107486351) is 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol is NNc1cnc(CN(CCO)CC(F)F)cn1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol?
The InChIKey is YQVVOSKAQHFZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5O/c10-8(11)6-16(1-2-17)5-7-3-14-9(15-12)4-13-7/h3-4,8,17H,1-2,5-6,12H2,(H,14,15).
What are the key properties of 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol has a molecular weight of 247.25 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 107486351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).