2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole

C4H6N4 — CID 23219328

IUPAC2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole
SMILESc1cn2c(n1)NNC2
InChIInChI=1S/C4H6N4/c1-2-8-3-6-7-4(8)5-1/h1-2,6H,3H2,(H,5,7)
InChIKeyVSIQHVXEDULLDO-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.23
Rot. Bonds

About 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole

2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole (PubChem CID 23219328) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole
PubChem CID23219328
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole
SMILESc1cn2c(n1)NNC2
InChIInChI=1S/C4H6N4/c1-2-8-3-6-7-4(8)5-1/h1-2,6H,3H2,(H,5,7)
InChIKeyVSIQHVXEDULLDO-UHFFFAOYSA-N
XLogP-0.23
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole (CID 23219328) is 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole is c1cn2c(n1)NNC2.
What is the InChIKey of 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole?
The InChIKey is VSIQHVXEDULLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-2-8-3-6-7-4(8)5-1/h1-2,6H,3H2,(H,5,7).
What are the key properties of 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole?
2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole has a molecular weight of 110.12 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-imidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 23219328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).