3-(1-methoxyethyl)-1-methyl-1,2,4-triazole

C6H11N3O — CID 175359877

IUPAC3-(1-methoxyethyl)-1-methyl-1,2,4-triazole
SMILESCOC(C)c1ncn(C)n1
InChIInChI=1S/C6H11N3O/c1-5(10-3)6-7-4-9(2)8-6/h4-5H,1-3H3
InChIKeyCPCCFBYKIQIINY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.52
Rot. Bonds2

About 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole

3-(1-methoxyethyl)-1-methyl-1,2,4-triazole (PubChem CID 175359877) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-methoxyethyl)-1-methyl-1,2,4-triazole
PubChem CID175359877
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(1-methoxyethyl)-1-methyl-1,2,4-triazole
SMILESCOC(C)c1ncn(C)n1
InChIInChI=1S/C6H11N3O/c1-5(10-3)6-7-4-9(2)8-6/h4-5H,1-3H3
InChIKeyCPCCFBYKIQIINY-UHFFFAOYSA-N
XLogP0.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
5-bromo-3-(methoxymethyl)-1-methyl-1H-1,2,4-triazole
CID 155819937
(1-methyl-1H-1,2,4-triazol-5-yl)methanol
CID 11073377
2-Fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330633
2,2,2-Trifluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330640
5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole
CID 67570876
1-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 124116983
5-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 166500038
1-[2-(Difluoromethoxy)ethyl]-5-propan-2-yl-1,2,4-triazole
CID 166500553

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole (CID 175359877) is 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole is COC(C)c1ncn(C)n1.
What is the InChIKey of 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole?
The InChIKey is CPCCFBYKIQIINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10-3)6-7-4-9(2)8-6/h4-5H,1-3H3.
What are the key properties of 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole?
3-(1-methoxyethyl)-1-methyl-1,2,4-triazole has a molecular weight of 141.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 175359877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).