3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine

C7H8N6 — CID 10631099

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nncnn2)n1
InChIInChI=1S/C7H8N6/c1-5-3-6(2)13(12-5)7-10-8-4-9-11-7/h3-4H,1-2H3
InChIKeyJSFOWGHUWZIIER-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.07
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine

3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine (PubChem CID 10631099) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
PubChem CID10631099
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nncnn2)n1
InChIInChI=1S/C7H8N6/c1-5-3-6(2)13(12-5)7-10-8-4-9-11-7/h3-4H,1-2H3
InChIKeyJSFOWGHUWZIIER-UHFFFAOYSA-N
XLogP0.07
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine (CID 10631099) is 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine is Cc1cc(C)n(-c2nncnn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
The InChIKey is JSFOWGHUWZIIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-5-3-6(2)13(12-5)7-10-8-4-9-11-7/h3-4H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine has a molecular weight of 176.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 10631099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).