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

C5H4N6 — CID 45120622

IUPAC3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine
SMILESc1nnc(-c2cnc[nH]2)nn1
InChIInChI=1S/C5H4N6/c1-4(7-2-6-1)5-10-8-3-9-11-5/h1-3H,(H,6,7)
InChIKeyOBYGUUNHZABIFE-UHFFFAOYSA-N
MW148.13 g/mol
LogP-0.34
Rot. Bonds1

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

3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine (PubChem CID 45120622) has the molecular formula C5H4N6 and a molecular weight of 148.13 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine
PubChem CID45120622
Molecular FormulaC5H4N6
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine
SMILESc1nnc(-c2cnc[nH]2)nn1
InChIInChI=1S/C5H4N6/c1-4(7-2-6-1)5-10-8-3-9-11-5/h1-3H,(H,6,7)
InChIKeyOBYGUUNHZABIFE-UHFFFAOYSA-N
XLogP-0.34
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine (CID 45120622) is 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine is c1nnc(-c2cnc[nH]2)nn1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine?
The InChIKey is OBYGUUNHZABIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6/c1-4(7-2-6-1)5-10-8-3-9-11-5/h1-3H,(H,6,7).
What are the key properties of 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine?
3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine has a molecular weight of 148.13 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 45120622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).