2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol

C8H11F2N3O — CID 84671273

IUPAC2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
SMILESCC(N)C(O)c1cnc(C(F)F)cn1
InChIInChI=1S/C8H11F2N3O/c1-4(11)7(14)5-2-13-6(3-12-5)8(9)10/h2-4,7-8,14H,11H2,1H3
InChIKeyHKPHFLIUTMXOOY-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol

2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol (PubChem CID 84671273) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
PubChem CID84671273
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
SMILESCC(N)C(O)c1cnc(C(F)F)cn1
InChIInChI=1S/C8H11F2N3O/c1-4(11)7(14)5-2-13-6(3-12-5)8(9)10/h2-4,7-8,14H,11H2,1H3
InChIKeyHKPHFLIUTMXOOY-UHFFFAOYSA-N
XLogP0.79
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol
CID 112709553
2-amino-1-pyrido[3,4-b]pyrazin-3-ylpropan-1-ol
CID 84672357
2-[5-(difluoromethyl)pyrazin-2-yl]propan-2-ol
CID 84661356
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
2-methylpropyl 5-(difluoromethyl)pyrazine-2-carboxylate
CID 123532816
(1S)-2-methyl-1-(5-propan-2-ylpyrazin-2-yl)propan-1-amine
CID 82401661
(1R,2R)-2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130900174
2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130985791
2-amino-1-(2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-ol
CID 84672691
3-amino-2-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
CID 84682444
2-amino-1-(thiadiazol-4-yl)propan-1-ol
CID 130592484
1-amino-1-(5-amino-2-pyridinyl)propan-2-ol
CID 55292549

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
The IUPAC name of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol (CID 84671273) is 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol is CC(N)C(O)c1cnc(C(F)F)cn1.
What is the InChIKey of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
The InChIKey is HKPHFLIUTMXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-4(11)7(14)5-2-13-6(3-12-5)8(9)10/h2-4,7-8,14H,11H2,1H3.
What are the key properties of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol has a molecular weight of 203.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 84671273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).