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

C5H10N4O2 — CID 137119643

IUPAC3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC[C@H](N)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O2/c1-11-2-3(6)4-7-5(10)9-8-4/h3H,2,6H2,1H3,(H2,7,8,9,10)/t3-/m0/s1
InChIKeyGRLGPEQEJRARRU-VKHMYHEASA-N
MW158.16 g/mol
LogP-1.26
Rot. Bonds3

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

3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137119643) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137119643
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC[C@H](N)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H10N4O2/c1-11-2-3(6)4-7-5(10)9-8-4/h3H,2,6H2,1H3,(H2,7,8,9,10)/t3-/m0/s1
InChIKeyGRLGPEQEJRARRU-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137119643) is 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one is COC[C@H](N)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is GRLGPEQEJRARRU-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N4O2/c1-11-2-3(6)4-7-5(10)9-8-4/h3H,2,6H2,1H3,(H2,7,8,9,10)/t3-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(1R)-1-amino-2-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-[(1R)-1-amino-2-methoxyethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).