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

C4H8N4O2 — CID 136854708

IUPAC3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESN[C@@H](CO)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H8N4O2/c5-2(1-9)3-6-4(10)8-7-3/h2,9H,1,5H2,(H2,6,7,8,10)/t2-/m0/s1
InChIKeyUUNTYKOSOXZNNO-REOHCLBHSA-N
MW144.13 g/mol
LogP-1.91
Rot. Bonds2

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

3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136854708) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136854708
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESN[C@@H](CO)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H8N4O2/c5-2(1-9)3-6-4(10)8-7-3/h2,9H,1,5H2,(H2,6,7,8,10)/t2-/m0/s1
InChIKeyUUNTYKOSOXZNNO-REOHCLBHSA-N
XLogP-1.91
TPSA107.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R)-1-amino-2,2-dimethylpropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136746239
3-[(1S)-1-(methylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137266426
3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965373
3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136968138
1-methyl-3-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
CID 137262526
3-(1-ethoxybutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965370
2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
CID 61279338
3-(1-ethoxy-2,2-dimethylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965374
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol
CID 82594248
2-amino-2-(3-chloro-5-propan-2-yl-1H-pyrazol-4-yl)ethanol
CID 83881725
2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881536

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136854708) is 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one is N[C@@H](CO)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UUNTYKOSOXZNNO-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8N4O2/c5-2(1-9)3-6-4(10)8-7-3/h2,9H,1,5H2,(H2,6,7,8,10)/t2-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 144.13 g/mol, XLogP of -1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136854708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).