3-imidazol-1-yl-1,2,4,5-tetrazine

C5H4N6 — CID 86097321

IUPAC3-imidazol-1-yl-1,2,4,5-tetrazine
SMILESc1cn(-c2nncnn2)cn1
InChIInChI=1S/C5H4N6/c1-2-11(4-6-1)5-9-7-3-8-10-5/h1-4H
InChIKeyMYAOICFCZSUXHG-UHFFFAOYSA-N
MW148.13 g/mol
LogP-0.55
Rot. Bonds1

About 3-imidazol-1-yl-1,2,4,5-tetrazine

3-imidazol-1-yl-1,2,4,5-tetrazine (PubChem CID 86097321) has the molecular formula C5H4N6 and a molecular weight of 148.13 g/mol. Its IUPAC name is 3-imidazol-1-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-imidazol-1-yl-1,2,4,5-tetrazine
PubChem CID86097321
Molecular FormulaC5H4N6
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name3-imidazol-1-yl-1,2,4,5-tetrazine
SMILESc1cn(-c2nncnn2)cn1
InChIInChI=1S/C5H4N6/c1-2-11(4-6-1)5-9-7-3-8-10-5/h1-4H
InChIKeyMYAOICFCZSUXHG-UHFFFAOYSA-N
XLogP-0.55
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
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(4-imidazol-1-ylphenyl)arsane
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5-bromo-3-imidazol-1-yl-1H-1,2,4-triazole
CID 155882785
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
2-imidazol-1-ylpyrimidine-4,5-diamine
CID 10080896
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
3-imidazol-1-ylpyridine;dihydrochloride
CID 91642740

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1,2,4,5-tetrazine?
The IUPAC name of 3-imidazol-1-yl-1,2,4,5-tetrazine (CID 86097321) is 3-imidazol-1-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-imidazol-1-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3-imidazol-1-yl-1,2,4,5-tetrazine is c1cn(-c2nncnn2)cn1.
What is the InChIKey of 3-imidazol-1-yl-1,2,4,5-tetrazine?
The InChIKey is MYAOICFCZSUXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6/c1-2-11(4-6-1)5-9-7-3-8-10-5/h1-4H.
What are the key properties of 3-imidazol-1-yl-1,2,4,5-tetrazine?
3-imidazol-1-yl-1,2,4,5-tetrazine has a molecular weight of 148.13 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 86097321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).