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

C7H11N3O — CID 141199127

IUPAC3-methyl-4-(oxolan-3-yl)-1,2,4-triazole
SMILESCc1nncn1C1CCOC1
InChIInChI=1S/C7H11N3O/c1-6-9-8-5-10(6)7-2-3-11-4-7/h5,7H,2-4H2,1H3
InChIKeyOFBJZEFJPAKHEJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.55
Rot. Bonds1

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

3-methyl-4-(oxolan-3-yl)-1,2,4-triazole (PubChem CID 141199127) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-(oxolan-3-yl)-1,2,4-triazole
PubChem CID141199127
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-methyl-4-(oxolan-3-yl)-1,2,4-triazole
SMILESCc1nncn1C1CCOC1
InChIInChI=1S/C7H11N3O/c1-6-9-8-5-10(6)7-2-3-11-4-7/h5,7H,2-4H2,1H3
InChIKeyOFBJZEFJPAKHEJ-UHFFFAOYSA-N
XLogP0.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole?
The IUPAC name of 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole (CID 141199127) is 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole is Cc1nncn1C1CCOC1.
What is the InChIKey of 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole?
The InChIKey is OFBJZEFJPAKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-9-8-5-10(6)7-2-3-11-4-7/h5,7H,2-4H2,1H3.
What are the key properties of 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole?
3-methyl-4-(oxolan-3-yl)-1,2,4-triazole has a molecular weight of 153.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 141199127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).