5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one

C10H16N6O3 — CID 79968127

IUPAC5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1cn(CCO)nn1
InChIInChI=1S/C10H16N6O3/c1-19-5-3-16-8(9(11)12-10(16)18)7-6-15(2-4-17)14-13-7/h6,8,17H,2-5H2,1H3,(H2,11,12,18)
InChIKeyHBCHOKVZQBXLTK-UHFFFAOYSA-N
MW268.28 g/mol
LogP-1.25
Rot. Bonds6

About 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one

5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one (PubChem CID 79968127) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one
PubChem CID79968127
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1cn(CCO)nn1
InChIInChI=1S/C10H16N6O3/c1-19-5-3-16-8(9(11)12-10(16)18)7-6-15(2-4-17)14-13-7/h6,8,17H,2-5H2,1H3,(H2,11,12,18)
InChIKeyHBCHOKVZQBXLTK-UHFFFAOYSA-N
XLogP-1.25
TPSA118.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one (CID 79968127) is 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one is COCCN1C(=O)N=C(N)C1c1cn(CCO)nn1.
What is the InChIKey of 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one?
The InChIKey is HBCHOKVZQBXLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-19-5-3-16-8(9(11)12-10(16)18)7-6-15(2-4-17)14-13-7/h6,8,17H,2-5H2,1H3,(H2,11,12,18).
What are the key properties of 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one?
5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one has a molecular weight of 268.28 g/mol, XLogP of -1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79968127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).