4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one

C5H9N3O2 — CID 107410751

IUPAC4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESCC(O)Cn1cn[nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-4(9)2-8-3-6-7-5(8)10/h3-4,9H,2H2,1H3,(H,7,10)
InChIKeyIBBDABAUZWECKA-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.05
Rot. Bonds2

About 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one

4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410751) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one
PubChem CID107410751
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESCC(O)Cn1cn[nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-4(9)2-8-3-6-7-5(8)10/h3-4,9H,2H2,1H3,(H,7,10)
InChIKeyIBBDABAUZWECKA-UHFFFAOYSA-N
XLogP-1.05
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one (CID 107410751) is 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one is CC(O)Cn1cn[nH]c1=O.
What is the InChIKey of 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is IBBDABAUZWECKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-4(9)2-8-3-6-7-5(8)10/h3-4,9H,2H2,1H3,(H,7,10).
What are the key properties of 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one?
4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).