4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole

C7H13N3O — CID 134453248

IUPAC4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole
SMILESCn1cnnc1OC(C)(C)C
InChIInChI=1S/C7H13N3O/c1-7(2,3)11-6-9-8-5-10(6)4/h5H,1-4H3
InChIKeyAPLXUZHEFSCQFG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.99
Rot. Bonds1

About 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole

4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole (PubChem CID 134453248) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole
PubChem CID134453248
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole
SMILESCn1cnnc1OC(C)(C)C
InChIInChI=1S/C7H13N3O/c1-7(2,3)11-6-9-8-5-10(6)4/h5H,1-4H3
InChIKeyAPLXUZHEFSCQFG-UHFFFAOYSA-N
XLogP0.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole?
The IUPAC name of 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole (CID 134453248) is 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole is Cn1cnnc1OC(C)(C)C.
What is the InChIKey of 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole?
The InChIKey is APLXUZHEFSCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,3)11-6-9-8-5-10(6)4/h5H,1-4H3.
What are the key properties of 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole?
4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole has a molecular weight of 155.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole is sourced from PubChem (CID 134453248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).