2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol

C6H9N5O2 — CID 69459922

IUPAC2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol
SMILESNc1nnn2ccn(OCCO)c12
InChIInChI=1S/C6H9N5O2/c7-5-6-10(9-8-5)1-2-11(6)13-4-3-12/h1-2,12H,3-4,7H2
InChIKeyLJHLBNNJGSAAQG-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.47
Rot. Bonds3

About 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol

2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol (PubChem CID 69459922) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol
PubChem CID69459922
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol
SMILESNc1nnn2ccn(OCCO)c12
InChIInChI=1S/C6H9N5O2/c7-5-6-10(9-8-5)1-2-11(6)13-4-3-12/h1-2,12H,3-4,7H2
InChIKeyLJHLBNNJGSAAQG-UHFFFAOYSA-N
XLogP-1.47
TPSA90.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol?
The IUPAC name of 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol (CID 69459922) is 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol.
What is the SMILES notation for 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol?
The canonical SMILES for 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol is Nc1nnn2ccn(OCCO)c12.
What is the InChIKey of 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol?
The InChIKey is LJHLBNNJGSAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-5-6-10(9-8-5)1-2-11(6)13-4-3-12/h1-2,12H,3-4,7H2.
What are the key properties of 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol?
2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol has a molecular weight of 183.17 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol is sourced from PubChem (CID 69459922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).