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

C12H20N8 — CID 146559480

IUPAC3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane
SMILESCc1cc(C)n(C2NNC(n3nc(C)cc3C)NN2)n1
InChIInChI=1S/C12H20N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6,11-16H,1-4H3
InChIKeyUEIOBHLEXXZHRF-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.13
Rot. Bonds2

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

3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane (PubChem CID 146559480) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane.

Molecular Properties

Compound Name3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane
PubChem CID146559480
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane
SMILESCc1cc(C)n(C2NNC(n3nc(C)cc3C)NN2)n1
InChIInChI=1S/C12H20N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6,11-16H,1-4H3
InChIKeyUEIOBHLEXXZHRF-UHFFFAOYSA-N
XLogP0.13
TPSA83.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.13
H-Bond Donors ≤ 54
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-tetrazinane?
The IUPAC name of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane (CID 146559480) is 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane.
What is the SMILES notation for 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane?
The canonical SMILES for 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane 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-tetrazinane?
The InChIKey is UEIOBHLEXXZHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6,11-16H,1-4H3.
What are the key properties of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane?
3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane has a molecular weight of 276.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 4 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-tetrazinane is sourced from PubChem (CID 146559480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).