5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole

C7H6N8S — CID 118257072

IUPAC5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole
SMILESCc1cc(-c2nn[nH]n2)sc1-c1nn[nH]n1
InChIInChI=1S/C7H6N8S/c1-3-2-4(6-8-12-13-9-6)16-5(3)7-10-14-15-11-7/h2H,1H3,(H,8,9,12,13)(H,10,11,14,15)
InChIKeyOZZVKYDGWKRFBP-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.42
Rot. Bonds2

About 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole

5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole (PubChem CID 118257072) has the molecular formula C7H6N8S and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole
PubChem CID118257072
Molecular FormulaC7H6N8S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole
SMILESCc1cc(-c2nn[nH]n2)sc1-c1nn[nH]n1
InChIInChI=1S/C7H6N8S/c1-3-2-4(6-8-12-13-9-6)16-5(3)7-10-14-15-11-7/h2H,1H3,(H,8,9,12,13)(H,10,11,14,15)
InChIKeyOZZVKYDGWKRFBP-UHFFFAOYSA-N
XLogP0.42
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine
CID 59222316
1-[5-(2H-tetrazol-5-yl)thiophen-2-yl]ethanone
CID 55256002
5-(5-butylthiophen-2-yl)-2H-tetrazole
CID 57101676
4-[5-(2H-tetrazol-5-yl)thiophen-2-yl]pyridine
CID 66857019
5-[4-(2,3-difluorophenyl)-5-(4-methylsulfonylphenyl)thiophen-2-yl]-2H-tetrazole
CID 174704375
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
5-(3-methyl-1-benzothiophen-5-yl)-2H-tetrazole
CID 19977107
5-(3-methylfuran-2-yl)-2H-tetrazole
CID 69188798
4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole
CID 173106364
5-(2-bromo-5-methylphenyl)-2H-tetrazole
CID 166595540
5-methyl-3-(2H-tetrazol-5-yl)pyridin-2-amine
CID 14200810
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole?
The IUPAC name of 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole (CID 118257072) is 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole is Cc1cc(-c2nn[nH]n2)sc1-c1nn[nH]n1.
What is the InChIKey of 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole?
The InChIKey is OZZVKYDGWKRFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8S/c1-3-2-4(6-8-12-13-9-6)16-5(3)7-10-14-15-11-7/h2H,1H3,(H,8,9,12,13)(H,10,11,14,15).
What are the key properties of 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole?
5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole has a molecular weight of 234.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-5-(2H-tetrazol-5-yl)thiophen-2-yl]-2H-tetrazole is sourced from PubChem (CID 118257072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).