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

C12H14N8 — CID 18763588

IUPAC5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine
SMILESCc1cc(C)n(-c2nnnnc2-n2nc(C)cc2C)n1
InChIInChI=1S/C12H14N8/c1-7-5-9(3)19(15-7)11-12(14-18-17-13-11)20-10(4)6-8(2)16-20/h5-6H,1-4H3
InChIKeyLITXJLCKCYEPNY-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.87
Rot. Bonds2

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

5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine (PubChem CID 18763588) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine.

Molecular Properties

Compound Name5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine
PubChem CID18763588
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine
SMILESCc1cc(C)n(-c2nnnnc2-n2nc(C)cc2C)n1
InChIInChI=1S/C12H14N8/c1-7-5-9(3)19(15-7)11-12(14-18-17-13-11)20-10(4)6-8(2)16-20/h5-6H,1-4H3
InChIKeyLITXJLCKCYEPNY-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 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine?
The IUPAC name of 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine (CID 18763588) is 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine.
What is the SMILES notation for 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine?
The canonical SMILES for 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine is Cc1cc(C)n(-c2nnnnc2-n2nc(C)cc2C)n1.
What is the InChIKey of 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine?
The InChIKey is LITXJLCKCYEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-7-5-9(3)19(15-7)11-12(14-18-17-13-11)20-10(4)6-8(2)16-20/h5-6H,1-4H3.
What are the key properties of 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine?
5,6-bis(3,5-dimethylpyrazol-1-yl)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 5,6-bis(3,5-dimethylpyrazol-1-yl)tetrazine is sourced from PubChem (CID 18763588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).