1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole

C8H15N3O — CID 146378040

IUPAC1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
SMILESCOc1nc(C)n(C(C)(C)C)n1
InChIInChI=1S/C8H15N3O/c1-6-9-7(12-5)10-11(6)8(2,3)4/h1-5H3
InChIKeyJCHNSWQZANJVSH-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.35
Rot. Bonds1

About 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole

1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole (PubChem CID 146378040) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
PubChem CID146378040
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
SMILESCOc1nc(C)n(C(C)(C)C)n1
InChIInChI=1S/C8H15N3O/c1-6-9-7(12-5)10-11(6)8(2,3)4/h1-5H3
InChIKeyJCHNSWQZANJVSH-UHFFFAOYSA-N
XLogP1.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3,5-dimethoxy-1,2,4-triazole
CID 146379255
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
CID 146378620
1-tert-butyl-3-iodo-4-methoxy-5-methylpyrazole
CID 146378827
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
2-(1-tert-butyl-5-methoxy-3-methylpyrazol-4-yl)ethanol
CID 117124476
1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
CID 146379055
1-tert-butyl-4,5-difluoro-3-methoxypyrazole
CID 146378578
1-tert-butyl-3,5-dimethylpyrazole;methane
CID 159275422
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
1,3-ditert-butyl-5-methoxypyrazole-4-carboxylic acid
CID 117124559
(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methanamine
CID 15515077

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole (CID 146378040) is 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole is COc1nc(C)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole?
The InChIKey is JCHNSWQZANJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-9-7(12-5)10-11(6)8(2,3)4/h1-5H3.
What are the key properties of 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole?
1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole has a molecular weight of 169.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole is sourced from PubChem (CID 146378040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).