3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one

C5H9N3O2 — CID 130113440

IUPAC3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCC(O)c1n[nH]c(=O)n1C
InChIInChI=1S/C5H9N3O2/c1-3(9)4-6-7-5(10)8(4)2/h3,9H,1-2H3,(H,7,10)
InChIKeyKECQIBOSXBZZRL-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.84
Rot. Bonds1

About 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one

3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 130113440) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID130113440
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCC(O)c1n[nH]c(=O)n1C
InChIInChI=1S/C5H9N3O2/c1-3(9)4-6-7-5(10)8(4)2/h3,9H,1-2H3,(H,7,10)
InChIKeyKECQIBOSXBZZRL-UHFFFAOYSA-N
XLogP-0.84
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one (CID 130113440) is 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one is CC(O)c1n[nH]c(=O)n1C.
What is the InChIKey of 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is KECQIBOSXBZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(9)4-6-7-5(10)8(4)2/h3,9H,1-2H3,(H,7,10).
What are the key properties of 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 130113440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).