[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol

C17H17F2N5O3 — CID 90416407

IUPAC[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol
SMILESCCOc1ncc(Cn2cc(CO)nn2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C17H17F2N5O3/c1-2-26-16-15(11-4-3-5-14(6-11)27-17(18)19)21-12(7-20-16)8-24-9-13(10-25)22-23-24/h3-7,9,17,25H,2,8,10H2,1H3
InChIKeyPERPQYIAHQMZLV-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.28
Rot. Bonds8

About [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol

[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol (PubChem CID 90416407) has the molecular formula C17H17F2N5O3 and a molecular weight of 377.35 g/mol. Its IUPAC name is [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol
PubChem CID90416407
Molecular FormulaC17H17F2N5O3
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC Name[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol
SMILESCCOc1ncc(Cn2cc(CO)nn2)nc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C17H17F2N5O3/c1-2-26-16-15(11-4-3-5-14(6-11)27-17(18)19)21-12(7-20-16)8-24-9-13(10-25)22-23-24/h3-7,9,17,25H,2,8,10H2,1H3
InChIKeyPERPQYIAHQMZLV-UHFFFAOYSA-N
XLogP2.28
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol (CID 90416407) is [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol is CCOc1ncc(Cn2cc(CO)nn2)nc1-c1cccc(OC(F)F)c1.
What is the InChIKey of [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol?
The InChIKey is PERPQYIAHQMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3/c1-2-26-16-15(11-4-3-5-14(6-11)27-17(18)19)21-12(7-20-16)8-24-9-13(10-25)22-23-24/h3-7,9,17,25H,2,8,10H2,1H3.
What are the key properties of [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol?
[1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol has a molecular weight of 377.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 90416407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).