7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C19H19F2N5O — CID 118169543

IUPAC7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(C2c3nnnn3CCN2Cc2cccc(F)c2F)cc1
InChIInChI=1S/C19H19F2N5O/c1-2-27-15-8-6-13(7-9-15)18-19-22-23-24-26(19)11-10-25(18)12-14-4-3-5-16(20)17(14)21/h3-9,18H,2,10-12H2,1H3
InChIKeyLGOOEHMUXNWRDM-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.96
Rot. Bonds5

About 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169543) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169543
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(C2c3nnnn3CCN2Cc2cccc(F)c2F)cc1
InChIInChI=1S/C19H19F2N5O/c1-2-27-15-8-6-13(7-9-15)18-19-22-23-24-26(19)11-10-25(18)12-14-4-3-5-16(20)17(14)21/h3-9,18H,2,10-12H2,1H3
InChIKeyLGOOEHMUXNWRDM-UHFFFAOYSA-N
XLogP2.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169543) is 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CCOc1ccc(C2c3nnnn3CCN2Cc2cccc(F)c2F)cc1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is LGOOEHMUXNWRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-2-27-15-8-6-13(7-9-15)18-19-22-23-24-26(19)11-10-25(18)12-14-4-3-5-16(20)17(14)21/h3-9,18H,2,10-12H2,1H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 371.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-8-(4-ethoxyphenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).