3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol

C9H12F3N3O — CID 104695407

IUPAC3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1cnc(C)c(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-5-3-13-6(2)8(15-5)14-4-7(16)9(10,11)12/h3,7,16H,4H2,1-2H3,(H,14,15)
InChIKeySABQXWXTUZELHB-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.43
Rot. Bonds3

About 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 104695407) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID104695407
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1cnc(C)c(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-5-3-13-6(2)8(15-5)14-4-7(16)9(10,11)12/h3,7,16H,4H2,1-2H3,(H,14,15)
InChIKeySABQXWXTUZELHB-UHFFFAOYSA-N
XLogP1.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 104695407) is 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol is Cc1cnc(C)c(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SABQXWXTUZELHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-3-13-6(2)8(15-5)14-4-7(16)9(10,11)12/h3,7,16H,4H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 235.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104695407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).