3H-imidazo[1,5-b][1,2,4]triazole

C4H4N4 — CID 55300431

IUPAC3H-imidazo[1,5-b][1,2,4]triazole
SMILESc1nc2cncn2[nH]1
InChIInChI=1S/C4H4N4/c1-4-6-2-7-8(4)3-5-1/h1-3H,(H,6,7)
InChIKeyBXNDAXJGFTUHQM-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.06
Rot. Bonds

About 3H-imidazo[1,5-b][1,2,4]triazole

3H-imidazo[1,5-b][1,2,4]triazole (PubChem CID 55300431) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is 3H-imidazo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name3H-imidazo[1,5-b][1,2,4]triazole
PubChem CID55300431
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name3H-imidazo[1,5-b][1,2,4]triazole
SMILESc1nc2cncn2[nH]1
InChIInChI=1S/C4H4N4/c1-4-6-2-7-8(4)3-5-1/h1-3H,(H,6,7)
InChIKeyBXNDAXJGFTUHQM-UHFFFAOYSA-N
XLogP0.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[1,5-b][1,2,4]triazole?
The IUPAC name of 3H-imidazo[1,5-b][1,2,4]triazole (CID 55300431) is 3H-imidazo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 3H-imidazo[1,5-b][1,2,4]triazole?
The canonical SMILES for 3H-imidazo[1,5-b][1,2,4]triazole is c1nc2cncn2[nH]1.
What is the InChIKey of 3H-imidazo[1,5-b][1,2,4]triazole?
The InChIKey is BXNDAXJGFTUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c1-4-6-2-7-8(4)3-5-1/h1-3H,(H,6,7).
What are the key properties of 3H-imidazo[1,5-b][1,2,4]triazole?
3H-imidazo[1,5-b][1,2,4]triazole has a molecular weight of 108.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 55300431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).