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

C10H10N8 — CID 86101896

IUPAC3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine
SMILESCc1cn(-c2nnc(-n3cnc(C)c3)nn2)cn1
InChIInChI=1S/C10H10N8/c1-7-3-17(5-11-7)9-13-15-10(16-14-9)18-4-8(2)12-6-18/h3-6H,1-2H3
InChIKeyYYUIBRBTCFHEMX-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.25
Rot. Bonds2

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

3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine (PubChem CID 86101896) has the molecular formula C10H10N8 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine
PubChem CID86101896
Molecular FormulaC10H10N8
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine
SMILESCc1cn(-c2nnc(-n3cnc(C)c3)nn2)cn1
InChIInChI=1S/C10H10N8/c1-7-3-17(5-11-7)9-13-15-10(16-14-9)18-4-8(2)12-6-18/h3-6H,1-2H3
InChIKeyYYUIBRBTCFHEMX-UHFFFAOYSA-N
XLogP0.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 72704323
{5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-ethyl-methyl-amine
CID 90017228
1,3-Bis[(4-methyl-5-imidazol-1-yl)ethylideneamino]propane
CID 129731389
[6-(4-Methyl-1 h-imidazol-1-yl)-1,2,4,5-tetrazin-3-yl]malononitrile
CID 129872802
1-(1h-Imidazol-1-yl)-1-(4-methyl-1h-imidazol-1-yl)methanimine
CID 145997415
1,1-Bis(4-methyl-1h-imidazol-1-yl)methanimine
CID 145997430
4-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-yl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 10660711
1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
1-[(2,5-Dimethylimidazol-1-yl)methyl]-2,5-dimethylimidazole
CID 20669170
2-Ethyl-5-(1,2,4-triazol-4-yl)pyrazine
CID 59113538

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine (CID 86101896) is 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine is Cc1cn(-c2nnc(-n3cnc(C)c3)nn2)cn1.
What is the InChIKey of 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine?
The InChIKey is YYUIBRBTCFHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8/c1-7-3-17(5-11-7)9-13-15-10(16-14-9)18-4-8(2)12-6-18/h3-6H,1-2H3.
What are the key properties of 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine?
3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine has a molecular weight of 242.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 86101896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).