7-thiophen-2-yltetrazolo[1,5-a]pyrimidine

C8H5N5S — CID 127044167

IUPAC7-thiophen-2-yltetrazolo[1,5-a]pyrimidine
SMILESc1csc(-c2ccnc3nnnn23)c1
InChIInChI=1S/C8H5N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-5H
InChIKeyZHULYTZTHZIVDH-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.25
Rot. Bonds1

About 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine

7-thiophen-2-yltetrazolo[1,5-a]pyrimidine (PubChem CID 127044167) has the molecular formula C8H5N5S and a molecular weight of 203.23 g/mol. Its IUPAC name is 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-thiophen-2-yltetrazolo[1,5-a]pyrimidine
PubChem CID127044167
Molecular FormulaC8H5N5S
Molecular Weight203.23 g/mol
Exact Mass203.03
IUPAC Name7-thiophen-2-yltetrazolo[1,5-a]pyrimidine
SMILESc1csc(-c2ccnc3nnnn23)c1
InChIInChI=1S/C8H5N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-5H
InChIKeyZHULYTZTHZIVDH-UHFFFAOYSA-N
XLogP1.25
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine (CID 127044167) is 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine is c1csc(-c2ccnc3nnnn23)c1.
What is the InChIKey of 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine?
The InChIKey is ZHULYTZTHZIVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-5H.
What are the key properties of 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine?
7-thiophen-2-yltetrazolo[1,5-a]pyrimidine has a molecular weight of 203.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yltetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 127044167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).