3-(difluoromethoxy)-6-methylpyrazin-2-amine

C6H7F2N3O — CID 170384835

IUPAC3-(difluoromethoxy)-6-methylpyrazin-2-amine
SMILESCc1cnc(OC(F)F)c(N)n1
InChIInChI=1S/C6H7F2N3O/c1-3-2-10-5(4(9)11-3)12-6(7)8/h2,6H,1H3,(H2,9,11)
InChIKeyQWDQOIKLWUKZLT-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.97
Rot. Bonds2

About 3-(difluoromethoxy)-6-methylpyrazin-2-amine

3-(difluoromethoxy)-6-methylpyrazin-2-amine (PubChem CID 170384835) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-methylpyrazin-2-amine
PubChem CID170384835
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name3-(difluoromethoxy)-6-methylpyrazin-2-amine
SMILESCc1cnc(OC(F)F)c(N)n1
InChIInChI=1S/C6H7F2N3O/c1-3-2-10-5(4(9)11-3)12-6(7)8/h2,6H,1H3,(H2,9,11)
InChIKeyQWDQOIKLWUKZLT-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-methylpyrazin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-6-methylpyrazin-2-amine (CID 170384835) is 3-(difluoromethoxy)-6-methylpyrazin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-6-methylpyrazin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-6-methylpyrazin-2-amine is Cc1cnc(OC(F)F)c(N)n1.
What is the InChIKey of 3-(difluoromethoxy)-6-methylpyrazin-2-amine?
The InChIKey is QWDQOIKLWUKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-3-2-10-5(4(9)11-3)12-6(7)8/h2,6H,1H3,(H2,9,11).
What are the key properties of 3-(difluoromethoxy)-6-methylpyrazin-2-amine?
3-(difluoromethoxy)-6-methylpyrazin-2-amine has a molecular weight of 175.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-methylpyrazin-2-amine is sourced from PubChem (CID 170384835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).