2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol

C10H15F2N3O — CID 102613482

IUPAC2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol
SMILESCc1nccnc1C(C)NCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O/c1-7-9(14-4-3-13-7)8(2)15-5-10(11,12)6-16/h3-4,8,15-16H,5-6H2,1-2H3
InChIKeyJFBHNSUMIZORIJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.06
Rot. Bonds5

About 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol

2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol (PubChem CID 102613482) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol
PubChem CID102613482
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol
SMILESCc1nccnc1C(C)NCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O/c1-7-9(14-4-3-13-7)8(2)15-5-10(11,12)6-16/h3-4,8,15-16H,5-6H2,1-2H3
InChIKeyJFBHNSUMIZORIJ-UHFFFAOYSA-N
XLogP1.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Ethylpyrazin-2-yl)methanamine; trifluoroacetic acid
CID 155819950
(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
CID 171475088
2-Pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64190730
1,1,1-Trifluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol
CID 102612511
1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 102612559
1,1-Difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol
CID 102612891
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
1,1-Difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955
2,2-Difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol
CID 104860582
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210712
2,2,3,3-tetrafluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 106289960
2,2,2-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 108425621

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol (CID 102613482) is 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol is Cc1nccnc1C(C)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol?
The InChIKey is JFBHNSUMIZORIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-7-9(14-4-3-13-7)8(2)15-5-10(11,12)6-16/h3-4,8,15-16H,5-6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol?
2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol has a molecular weight of 231.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 102613482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).