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

C10H15F2N3O — CID 102612891

IUPAC1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol
SMILESCc1nccnc1C(C)NCC(O)C(F)F
InChIInChI=1S/C10H15F2N3O/c1-6-9(14-4-3-13-6)7(2)15-5-8(16)10(11)12/h3-4,7-8,10,15-16H,5H2,1-2H3
InChIKeyKNGMXHVHDBXUNT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.06
Rot. Bonds5

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

1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol (PubChem CID 102612891) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol
PubChem CID102612891
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol
SMILESCc1nccnc1C(C)NCC(O)C(F)F
InChIInChI=1S/C10H15F2N3O/c1-6-9(14-4-3-13-6)7(2)15-5-8(16)10(11)12/h3-4,7-8,10,15-16H,5H2,1-2H3
InChIKeyKNGMXHVHDBXUNT-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

(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
CID 171475088
1,1,1-Trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 63901282
1-pyrazin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64191748
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
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
2,2-Difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-1-ol
CID 102613482
N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
CID 103080648
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
1,1,1-Trifluoro-3-{[(pyrazin-2-yl)methyl]amino}propan-2-ol
CID 105643767
1,1-Difluoro-3-(pyrazin-2-ylmethylamino)propan-2-ol
CID 105644452

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol (CID 102612891) is 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol is Cc1nccnc1C(C)NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol?
The InChIKey is KNGMXHVHDBXUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-6-9(14-4-3-13-6)7(2)15-5-8(16)10(11)12/h3-4,7-8,10,15-16H,5H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-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 1,1-difluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 102612891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).