5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole

C6H8N6 — CID 534038

IUPAC5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole
SMILESCc1cc(C)n(-c2nn[nH]n2)n1
InChIInChI=1S/C6H8N6/c1-4-3-5(2)12(9-4)6-7-10-11-8-6/h3H,1-2H3,(H,7,8,10,11)
InChIKeyAASVQOULNCQDKJ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.00
Rot. Bonds1

About 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole

5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole (PubChem CID 534038) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole
PubChem CID534038
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole
SMILESCc1cc(C)n(-c2nn[nH]n2)n1
InChIInChI=1S/C6H8N6/c1-4-3-5(2)12(9-4)6-7-10-11-8-6/h3H,1-2H3,(H,7,8,10,11)
InChIKeyAASVQOULNCQDKJ-UHFFFAOYSA-N
XLogP0.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole (CID 534038) is 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole is Cc1cc(C)n(-c2nn[nH]n2)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
The InChIKey is AASVQOULNCQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-4-3-5(2)12(9-4)6-7-10-11-8-6/h3H,1-2H3,(H,7,8,10,11).
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole?
5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole has a molecular weight of 164.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-2H-tetrazole is sourced from PubChem (CID 534038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).