3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine

C8H6N8 — CID 86101895

IUPAC3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine
SMILESc1cn(-c2nnc(-n3ccnc3)nn2)cn1
InChIInChI=1S/C8H6N8/c1-3-15(5-9-1)7-11-13-8(14-12-7)16-4-2-10-6-16/h1-6H
InChIKeyWJNVCHBURJSHLZ-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.36
Rot. Bonds2

About 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine

3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine (PubChem CID 86101895) has the molecular formula C8H6N8 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine
PubChem CID86101895
Molecular FormulaC8H6N8
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine
SMILESc1cn(-c2nnc(-n3ccnc3)nn2)cn1
InChIInChI=1S/C8H6N8/c1-3-15(5-9-1)7-11-13-8(14-12-7)16-4-2-10-6-16/h1-6H
InChIKeyWJNVCHBURJSHLZ-UHFFFAOYSA-N
XLogP-0.36
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,6-Tri(1H-imidazol-1-yl)-1,3,5-triazine
CID 15506144
3-Imidazol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine
CID 153912220
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
2-N,N-Dimethylamino-4,6-bis(1-H-imidazol-1-yl)-1,3,5-triazine
CID 127869
1-(2-Imidazol-1-ylethyl)imidazole
CID 5324087
Triimidazole[a,c,E]azacyclohexane
CID 607733
1-Methyl-3-[(3-methylimidazol-3-ium-1-yl)methyl]imidazol-1-ium
CID 10862945
3-Guanidino-6-(imidazol-1-yl)-1,2,4,5-tetrazine
CID 170452740
N-(Di(1H-imidazol-1-yl)methylene)methanamine
CID 391927
Imidazo[1,2-b][1,2,4]triazolo[4,3-d][1,2,4]triazine
CID 45088661
4-(2-Imidazol-1-yl-ethyl)-4h-[1,3,4]triazole
CID 62959602
5-Imidazol-1-yl-1-methyltetrazole
CID 63810065

Frequently Asked Questions

What is the IUPAC name of 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine (CID 86101895) is 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine is c1cn(-c2nnc(-n3ccnc3)nn2)cn1.
What is the InChIKey of 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine?
The InChIKey is WJNVCHBURJSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N8/c1-3-15(5-9-1)7-11-13-8(14-12-7)16-4-2-10-6-16/h1-6H.
What are the key properties of 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine?
3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine has a molecular weight of 214.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(imidazol-1-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 86101895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).