3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one

C5H9N3O2 — CID 137052853

IUPAC3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(CO)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H9N3O2/c1-3(2-9)4-6-5(10)8-7-4/h3,9H,2H2,1H3,(H2,6,7,8,10)
InChIKeyKFQMNUGTGYSYKC-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.81
Rot. Bonds2

About 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one

3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137052853) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137052853
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC(CO)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H9N3O2/c1-3(2-9)4-6-5(10)8-7-4/h3,9H,2H2,1H3,(H2,6,7,8,10)
InChIKeyKFQMNUGTGYSYKC-UHFFFAOYSA-N
XLogP-0.81
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137052853) is 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one is CC(CO)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is KFQMNUGTGYSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(2-9)4-6-5(10)8-7-4/h3,9H,2H2,1H3,(H2,6,7,8,10).
What are the key properties of 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137052853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).