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

C5H9N3O2 — CID 136965944

IUPAC5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one
SMILESCn1nc(CCO)[nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-8-5(10)6-4(7-8)2-3-9/h9H,2-3H2,1H3,(H,6,7,10)
InChIKeyFNQWIKURIKDVOU-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.36
Rot. Bonds2

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

5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 136965944) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID136965944
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one
SMILESCn1nc(CCO)[nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-8-5(10)6-4(7-8)2-3-9/h9H,2-3H2,1H3,(H,6,7,10)
InChIKeyFNQWIKURIKDVOU-UHFFFAOYSA-N
XLogP-1.36
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 ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one (CID 136965944) is 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one is Cn1nc(CCO)[nH]c1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is FNQWIKURIKDVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-8-5(10)6-4(7-8)2-3-9/h9H,2-3H2,1H3,(H,6,7,10).
What are the key properties of 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one?
5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 143.15 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136965944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).