3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one

C5H10N4O2 — CID 136704081

IUPAC3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC(CN)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O2/c1-11-3(2-6)4-7-5(10)9-8-4/h3H,2,6H2,1H3,(H2,7,8,9,10)
InChIKeyVXXMALHNMVTQNE-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.26
Rot. Bonds3

About 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136704081) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136704081
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC(CN)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O2/c1-11-3(2-6)4-7-5(10)9-8-4/h3H,2,6H2,1H3,(H2,7,8,9,10)
InChIKeyVXXMALHNMVTQNE-UHFFFAOYSA-N
XLogP-1.26
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 175515936
3-[2-(Dimethylamino)-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175515951
3-[2-(Chloroamino)-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 175516146
3-Morpholin-2-yl-1,4-dihydro-1,2,4-triazol-5-one
CID 135991811
3-(1-Ethoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135995678
3-(2-Amino-1-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136242544
3-(4-Methylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136277918
3-(1-Methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136278689
3-(2-Aminoethoxymethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136294390
3-(4-Propylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136294492
3-(4-Ethylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136295921
3-[(1S)-2-amino-1-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136755765

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136704081) is 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one is COC(CN)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is VXXMALHNMVTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-11-3(2-6)4-7-5(10)9-8-4/h3H,2,6H2,1H3,(H2,7,8,9,10).
What are the key properties of 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 158.16 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136704081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).