[6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol

C9H12F3N3O — CID 66467986

IUPAC[6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol
SMILESCN(CCC(F)(F)F)c1cncc(CO)n1
InChIInChI=1S/C9H12F3N3O/c1-15(3-2-9(10,11)12)8-5-13-4-7(6-16)14-8/h4-5,16H,2-3,6H2,1H3
InChIKeyXYTUBCQDQQRXNX-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.36
Rot. Bonds4

About [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol

[6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol (PubChem CID 66467986) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol
PubChem CID66467986
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name[6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol
SMILESCN(CCC(F)(F)F)c1cncc(CO)n1
InChIInChI=1S/C9H12F3N3O/c1-15(3-2-9(10,11)12)8-5-13-4-7(6-16)14-8/h4-5,16H,2-3,6H2,1H3
InChIKeyXYTUBCQDQQRXNX-UHFFFAOYSA-N
XLogP1.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol?
The IUPAC name of [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol (CID 66467986) is [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol is CN(CCC(F)(F)F)c1cncc(CO)n1.
What is the InChIKey of [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol?
The InChIKey is XYTUBCQDQQRXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-15(3-2-9(10,11)12)8-5-13-4-7(6-16)14-8/h4-5,16H,2-3,6H2,1H3.
What are the key properties of [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol?
[6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol has a molecular weight of 235.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(3,3,3-trifluoropropyl)amino]pyrazin-2-yl]methanol is sourced from PubChem (CID 66467986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).