6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine

C17H17F3N6O — CID 133283134

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(OCC(F)(F)F)nc3)n2)n1
InChIInChI=1S/C17H17F3N6O/c1-11-5-12(2)26(25-11)15-9-21-8-14(24-15)22-6-13-3-4-16(23-7-13)27-10-17(18,19)20/h3-5,7-9H,6,10H2,1-2H3,(H,22,24)
InChIKeyWEQYVNKUPOJYHL-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.23
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine (PubChem CID 133283134) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine
PubChem CID133283134
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(OCC(F)(F)F)nc3)n2)n1
InChIInChI=1S/C17H17F3N6O/c1-11-5-12(2)26(25-11)15-9-21-8-14(24-15)22-6-13-3-4-16(23-7-13)27-10-17(18,19)20/h3-5,7-9H,6,10H2,1-2H3,(H,22,24)
InChIKeyWEQYVNKUPOJYHL-UHFFFAOYSA-N
XLogP3.23
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine (CID 133283134) is 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCc3ccc(OCC(F)(F)F)nc3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine?
The InChIKey is WEQYVNKUPOJYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-11-5-12(2)26(25-11)15-9-21-8-14(24-15)22-6-13-3-4-16(23-7-13)27-10-17(18,19)20/h3-5,7-9H,6,10H2,1-2H3,(H,22,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine has a molecular weight of 378.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133283134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).