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

C6H9N3O2 — CID 107410791

IUPAC4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CC(O)C1
InChIInChI=1S/C6H9N3O2/c10-5-1-4(2-5)9-3-7-8-6(9)11/h3-5,10H,1-2H2,(H,8,11)
InChIKeyVXLFAAVGYCPRKZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.73
Rot. Bonds1

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

4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410791) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one
PubChem CID107410791
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CC(O)C1
InChIInChI=1S/C6H9N3O2/c10-5-1-4(2-5)9-3-7-8-6(9)11/h3-5,10H,1-2H2,(H,8,11)
InChIKeyVXLFAAVGYCPRKZ-UHFFFAOYSA-N
XLogP-0.73
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one (CID 107410791) is 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1C1CC(O)C1.
What is the InChIKey of 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one?
The InChIKey is VXLFAAVGYCPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-5-1-4(2-5)9-3-7-8-6(9)11/h3-5,10H,1-2H2,(H,8,11).
What are the key properties of 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one?
4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one has a molecular weight of 155.16 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).