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

C6H6N4O — CID 59552910

IUPAC5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole
SMILESCc1cc(-c2ncn[nH]2)no1
InChIInChI=1S/C6H6N4O/c1-4-2-5(10-11-4)6-7-3-8-9-6/h2-3H,1H3,(H,7,8,9)
InChIKeyMAXPMOJIIIMODO-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.77
Rot. Bonds1

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

5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole (PubChem CID 59552910) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole
PubChem CID59552910
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole
SMILESCc1cc(-c2ncn[nH]2)no1
InChIInChI=1S/C6H6N4O/c1-4-2-5(10-11-4)6-7-3-8-9-6/h2-3H,1H3,(H,7,8,9)
InChIKeyMAXPMOJIIIMODO-UHFFFAOYSA-N
XLogP0.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole (CID 59552910) is 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole is Cc1cc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole?
The InChIKey is MAXPMOJIIIMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-2-5(10-11-4)6-7-3-8-9-6/h2-3H,1H3,(H,7,8,9).
What are the key properties of 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole?
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole has a molecular weight of 150.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 59552910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).