4-methoxyimidazo[1,2-c]triazole

C5H6N4O — CID 69459986

IUPAC4-methoxyimidazo[1,2-c]triazole
SMILESCOn1ccn2nncc12
InChIInChI=1S/C5H6N4O/c1-10-9-3-2-8-5(9)4-6-7-8/h2-4H,1H3
InChIKeyAYVFNJNPDYCHLN-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.41
Rot. Bonds1

About 4-methoxyimidazo[1,2-c]triazole

4-methoxyimidazo[1,2-c]triazole (PubChem CID 69459986) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-methoxyimidazo[1,2-c]triazole.

Molecular Properties

Compound Name4-methoxyimidazo[1,2-c]triazole
PubChem CID69459986
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name4-methoxyimidazo[1,2-c]triazole
SMILESCOn1ccn2nncc12
InChIInChI=1S/C5H6N4O/c1-10-9-3-2-8-5(9)4-6-7-8/h2-4H,1H3
InChIKeyAYVFNJNPDYCHLN-UHFFFAOYSA-N
XLogP-0.41
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyimidazo[1,2-c]triazole?
The IUPAC name of 4-methoxyimidazo[1,2-c]triazole (CID 69459986) is 4-methoxyimidazo[1,2-c]triazole.
What is the SMILES notation for 4-methoxyimidazo[1,2-c]triazole?
The canonical SMILES for 4-methoxyimidazo[1,2-c]triazole is COn1ccn2nncc12.
What is the InChIKey of 4-methoxyimidazo[1,2-c]triazole?
The InChIKey is AYVFNJNPDYCHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c1-10-9-3-2-8-5(9)4-6-7-8/h2-4H,1H3.
What are the key properties of 4-methoxyimidazo[1,2-c]triazole?
4-methoxyimidazo[1,2-c]triazole has a molecular weight of 138.13 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimidazo[1,2-c]triazole is sourced from PubChem (CID 69459986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).