3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole

C3H2N6S — CID 118412817

IUPAC3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole
SMILESc1nc(-c2nn[nH]n2)ns1
InChIInChI=1S/C3H2N6S/c1-4-2(7-10-1)3-5-8-9-6-3/h1H,(H,5,6,8,9)
InChIKeyPCPZHKZHDBXNMY-UHFFFAOYSA-N
MW154.16 g/mol
LogP-0.28
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole

3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole (PubChem CID 118412817) has the molecular formula C3H2N6S and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole
PubChem CID118412817
Molecular FormulaC3H2N6S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole
SMILESc1nc(-c2nn[nH]n2)ns1
InChIInChI=1S/C3H2N6S/c1-4-2(7-10-1)3-5-8-9-6-3/h1H,(H,5,6,8,9)
InChIKeyPCPZHKZHDBXNMY-UHFFFAOYSA-N
XLogP-0.28
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole (CID 118412817) is 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole is c1nc(-c2nn[nH]n2)ns1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole?
The InChIKey is PCPZHKZHDBXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N6S/c1-4-2(7-10-1)3-5-8-9-6-3/h1H,(H,5,6,8,9).
What are the key properties of 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole?
3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole has a molecular weight of 154.16 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 118412817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).