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

C17H15ClFN5 — CID 118169526

IUPAC7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cccc(C2c3nnnn3CCN2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClFN5/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
InChIKeyJDNVFIRGQWCWOF-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.07
Rot. Bonds3

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

7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169526) has the molecular formula C17H15ClFN5 and a molecular weight of 343.79 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169526
Molecular FormulaC17H15ClFN5
Molecular Weight343.79 g/mol
Exact Mass343.10
IUPAC Name7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESFc1cccc(C2c3nnnn3CCN2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClFN5/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
InChIKeyJDNVFIRGQWCWOF-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169526) is 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is Fc1cccc(C2c3nnnn3CCN2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is JDNVFIRGQWCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5/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.
What are the key properties of 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 343.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methyl]-8-(3-fluorophenyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).