3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine

C12H14N8 — CID 577984

IUPAC3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nnc(-n3nc(C)cc3C)nn2)n1
InChIInChI=1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3
InChIKeyFPKOARNUITZHCF-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.87
Rot. Bonds2

About 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine

3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine (PubChem CID 577984) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
PubChem CID577984
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
SMILESCc1cc(C)n(-c2nnc(-n3nc(C)cc3C)nn2)n1
InChIInChI=1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3
InChIKeyFPKOARNUITZHCF-UHFFFAOYSA-N
XLogP0.87
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine (CID 577984) is 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine is Cc1cc(C)n(-c2nnc(-n3nc(C)cc3C)nn2)n1.
What is the InChIKey of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
The InChIKey is FPKOARNUITZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3.
What are the key properties of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine?
3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine has a molecular weight of 270.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 577984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).