8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C15H15N5S — CID 118169518

IUPAC8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1
InChIInChI=1S/C15H15N5S/c1-2-5-12(6-3-1)14-15-16-17-18-20(15)9-8-19(14)11-13-7-4-10-21-13/h1-7,10,14H,8-9,11H2
InChIKeyDJOKSTNFQCZZCJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.34
Rot. Bonds3

About 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169518) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169518
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESc1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1
InChIInChI=1S/C15H15N5S/c1-2-5-12(6-3-1)14-15-16-17-18-20(15)9-8-19(14)11-13-7-4-10-21-13/h1-7,10,14H,8-9,11H2
InChIKeyDJOKSTNFQCZZCJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169518) is 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is c1ccc(C2c3nnnn3CCN2Cc2cccs2)cc1.
What is the InChIKey of 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is DJOKSTNFQCZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-5-12(6-3-1)14-15-16-17-18-20(15)9-8-19(14)11-13-7-4-10-21-13/h1-7,10,14H,8-9,11H2.
What are the key properties of 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 297.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).