1-tert-butyl-3,5-dimethoxy-1,2,4-triazole

C8H15N3O2 — CID 146379255

IUPAC1-tert-butyl-3,5-dimethoxy-1,2,4-triazole
SMILESCOc1nc(OC)n(C(C)(C)C)n1
InChIInChI=1S/C8H15N3O2/c1-8(2,3)11-7(13-5)9-6(10-11)12-4/h1-5H3
InChIKeyHLOUVDPIGRFWDV-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.05
Rot. Bonds2

About 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole

1-tert-butyl-3,5-dimethoxy-1,2,4-triazole (PubChem CID 146379255) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethoxy-1,2,4-triazole
PubChem CID146379255
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-tert-butyl-3,5-dimethoxy-1,2,4-triazole
SMILESCOc1nc(OC)n(C(C)(C)C)n1
InChIInChI=1S/C8H15N3O2/c1-8(2,3)11-7(13-5)9-6(10-11)12-4/h1-5H3
InChIKeyHLOUVDPIGRFWDV-UHFFFAOYSA-N
XLogP1.05
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-methoxy-5-methyl-1,2,4-triazole
CID 146378040
1,4,5-tritert-butyl-2-methoxyimidazole
CID 164942918
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
1-tert-butyl-3,4-dimethoxy-5-methylpyrazole
CID 146378620
1-tert-butyl-4,5-difluoro-3-methoxypyrazole
CID 146378578
2,5-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine
CID 67650359
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
1-tert-butyl-3-iodo-4-methoxy-5-methylpyrazole
CID 146378827
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
CID 146377153
1-tert-butyl-3-methoxypyrazole
CID 130223595
1-tert-butyl-5-fluoro-4-methoxy-3-(trifluoromethyl)pyrazole
CID 146379021
2-(5-bromo-2,6-dimethoxypyrimidin-4-yl)propan-2-amine
CID 83866878

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole (CID 146379255) is 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole is COc1nc(OC)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole?
The InChIKey is HLOUVDPIGRFWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(2,3)11-7(13-5)9-6(10-11)12-4/h1-5H3.
What are the key properties of 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole?
1-tert-butyl-3,5-dimethoxy-1,2,4-triazole has a molecular weight of 185.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethoxy-1,2,4-triazole is sourced from PubChem (CID 146379255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).