2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one

C7H11N3O2 — CID 136965973

IUPAC2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CO)nn1C1CCC1
InChIInChI=1S/C7H11N3O2/c11-4-6-8-7(12)10(9-6)5-2-1-3-5/h5,11H,1-4H2,(H,8,9,12)
InChIKeyQUXWWMCODGEAHX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.21
Rot. Bonds2

About 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one

2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one (PubChem CID 136965973) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
PubChem CID136965973
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CO)nn1C1CCC1
InChIInChI=1S/C7H11N3O2/c11-4-6-8-7(12)10(9-6)5-2-1-3-5/h5,11H,1-4H2,(H,8,9,12)
InChIKeyQUXWWMCODGEAHX-UHFFFAOYSA-N
XLogP-0.21
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965942
2-(2-hydroxyethyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 136329547
2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965953
5-(hydroxymethyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136965957
2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136966020
2-cyclobutyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136966022
2-cyclohexyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136982051
2-cyclobutyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136982052
2-cycloheptyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136982168

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one (CID 136965973) is 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CO)nn1C1CCC1.
What is the InChIKey of 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is QUXWWMCODGEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-4-6-8-7(12)10(9-6)5-2-1-3-5/h5,11H,1-4H2,(H,8,9,12).
What are the key properties of 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136965973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).