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

C12H16N8 — CID 75406485

IUPAC3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESCc1cn(C2=NNC(n3cc(C)c(C)n3)=NN2)nc1C
InChIInChI=1S/C12H16N8/c1-7-5-19(17-9(7)3)11-13-15-12(16-14-11)20-6-8(2)10(4)18-20/h5-6H,1-4H3,(H,13,14)(H,15,16)
InChIKeyPFHUXFBGCGLXLO-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.44
Rot. Bonds

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

3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine (PubChem CID 75406485) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine
PubChem CID75406485
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine
SMILESCc1cn(C2=NNC(n3cc(C)c(C)n3)=NN2)nc1C
InChIInChI=1S/C12H16N8/c1-7-5-19(17-9(7)3)11-13-15-12(16-14-11)20-6-8(2)10(4)18-20/h5-6H,1-4H3,(H,13,14)(H,15,16)
InChIKeyPFHUXFBGCGLXLO-UHFFFAOYSA-N
XLogP0.44
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-1H-tetrazole-1,5-diamine
CID 6891021
3-(3,4-Dimethyl-1h-pyrazol-1-yl)-6-(3,4-dimethyl-4,5-dihydro-1h-pyrazol1-yl)-1,2,4,5-tetrazine
CID 172052478
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122166640
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122166681
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-5-amine
CID 122166683
N-[(1,4-dimethyl-1H-pyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122166889
N-[(1-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122167151
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 122167193
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-5-amine
CID 122167195
1-(2-fluoroethyl)-4-methyl-N-{[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-3-amine
CID 122167364
1-(2-fluoroethyl)-4-methyl-N-{[3-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-3-amine
CID 122167547
1-(2-fluoroethyl)-4-methyl-N-{[3-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-5-amine
CID 122167549

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine (CID 75406485) is 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine is Cc1cn(C2=NNC(n3cc(C)c(C)n3)=NN2)nc1C.
What is the InChIKey of 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The InChIKey is PFHUXFBGCGLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-7-5-19(17-9(7)3)11-13-15-12(16-14-11)20-6-8(2)10(4)18-20/h5-6H,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine?
3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine has a molecular weight of 272.32 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,4-dimethylpyrazol-1-yl)-1,4-dihydro-1,2,4,5-tetrazine is sourced from PubChem (CID 75406485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).