5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole

C7H11N3O — CID 43166851

IUPAC5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole
SMILESCc1nc(C2CCCO2)n[nH]1
InChIInChI=1S/C7H11N3O/c1-5-8-7(10-9-5)6-3-2-4-11-6/h6H,2-4H2,1H3,(H,8,9,10)
InChIKeyZWKYTGRJXVFJKT-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.96
Rot. Bonds1

About 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole

5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole (PubChem CID 43166851) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole
PubChem CID43166851
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole
SMILESCc1nc(C2CCCO2)n[nH]1
InChIInChI=1S/C7H11N3O/c1-5-8-7(10-9-5)6-3-2-4-11-6/h6H,2-4H2,1H3,(H,8,9,10)
InChIKeyZWKYTGRJXVFJKT-UHFFFAOYSA-N
XLogP0.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole (CID 43166851) is 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole is Cc1nc(C2CCCO2)n[nH]1.
What is the InChIKey of 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole?
The InChIKey is ZWKYTGRJXVFJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-8-7(10-9-5)6-3-2-4-11-6/h6H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole?
5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole has a molecular weight of 153.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxolan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 43166851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).