1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

C9H12F3N3O — CID 63901282

IUPAC1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(O)C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O/c1-6-2-15-7(4-14-6)3-13-5-8(16)9(10,11)12/h2,4,8,13,16H,3,5H2,1H3
InChIKeyDPFUEQWTUXNGFA-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.80
Rot. Bonds4

About 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (PubChem CID 63901282) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
PubChem CID63901282
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(O)C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O/c1-6-2-15-7(4-14-6)3-13-5-8(16)9(10,11)12/h2,4,8,13,16H,3,5H2,1H3
InChIKeyDPFUEQWTUXNGFA-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (CID 63901282) is 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is Cc1cnc(CNCC(O)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The InChIKey is DPFUEQWTUXNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-2-15-7(4-14-6)3-13-5-8(16)9(10,11)12/h2,4,8,13,16H,3,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol has a molecular weight of 235.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 63901282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).