3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C5H5N5O — CID 131159756

IUPAC3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ncn[nH]2)n1
InChIInChI=1S/C5H5N5O/c1-3-8-5(11-10-3)4-6-2-7-9-4/h2H,1H3,(H,6,7,9)
InChIKeyKTZWTHARXXNWFH-UHFFFAOYSA-N
MW151.13 g/mol
LogP0.16
Rot. Bonds1

About 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 131159756) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID131159756
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ncn[nH]2)n1
InChIInChI=1S/C5H5N5O/c1-3-8-5(11-10-3)4-6-2-7-9-4/h2H,1H3,(H,6,7,9)
InChIKeyKTZWTHARXXNWFH-UHFFFAOYSA-N
XLogP0.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 131159756) is 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Cc1noc(-c2ncn[nH]2)n1.
What is the InChIKey of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KTZWTHARXXNWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c1-3-8-5(11-10-3)4-6-2-7-9-4/h2H,1H3,(H,6,7,9).
What are the key properties of 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 151.13 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 131159756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).