6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one

C5H5N3O2 — CID 59945333

IUPAC6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one
SMILESCc1cc2[nH]oc(=O)n2n1
InChIInChI=1S/C5H5N3O2/c1-3-2-4-7-10-5(9)8(4)6-3/h2,7H,1H3
InChIKeyZUEDDMMDVFGZNS-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.08
Rot. Bonds

About 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one

6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one (PubChem CID 59945333) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one.

Molecular Properties

Compound Name6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one
PubChem CID59945333
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one
SMILESCc1cc2[nH]oc(=O)n2n1
InChIInChI=1S/C5H5N3O2/c1-3-2-4-7-10-5(9)8(4)6-3/h2,7H,1H3
InChIKeyZUEDDMMDVFGZNS-UHFFFAOYSA-N
XLogP-0.08
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one?
The IUPAC name of 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one (CID 59945333) is 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one.
What is the SMILES notation for 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one?
The canonical SMILES for 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one is Cc1cc2[nH]oc(=O)n2n1.
What is the InChIKey of 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one?
The InChIKey is ZUEDDMMDVFGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c1-3-2-4-7-10-5(9)8(4)6-3/h2,7H,1H3.
What are the key properties of 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one?
6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one has a molecular weight of 139.11 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrazolo[5,1-c][1,2,4]oxadiazol-3-one is sourced from PubChem (CID 59945333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).