(8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C17H15F2N5 — CID 118169441

IUPAC(8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1ccc(CN2CCn3nnnc3[C@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C17H15F2N5/c18-14-6-4-12(5-7-14)11-23-8-9-24-17(20-21-22-24)16(23)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKeyWONDFDMPHJOWPT-MRXNPFEDSA-N
MW327.34 g/mol
LogP2.56
Rot. Bonds3

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

(8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169441) has the molecular formula C17H15F2N5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169441
Molecular FormulaC17H15F2N5
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name(8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1ccc(CN2CCn3nnnc3[C@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C17H15F2N5/c18-14-6-4-12(5-7-14)11-23-8-9-24-17(20-21-22-24)16(23)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKeyWONDFDMPHJOWPT-MRXNPFEDSA-N
XLogP2.56
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169441) is (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1ccc(CN2CCn3nnnc3[C@H]2c2cccc(F)c2)cc1.
What is the InChIKey of (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is WONDFDMPHJOWPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15F2N5/c18-14-6-4-12(5-7-14)11-23-8-9-24-17(20-21-22-24)16(23)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2/t16-/m1/s1.
What are the key properties of (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
(8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 327.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).