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

C6H11N3O — CID 143987893

IUPAC3-(2-methoxyethyl)-1-methyl-1,2,4-triazole
SMILESCOCCc1ncn(C)n1
InChIInChI=1S/C6H11N3O/c1-9-5-7-6(8-9)3-4-10-2/h5H,3-4H2,1-2H3
InChIKeyNTLCMADBWUAVOF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.00
Rot. Bonds3

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

3-(2-methoxyethyl)-1-methyl-1,2,4-triazole (PubChem CID 143987893) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methyl-1,2,4-triazole
PubChem CID143987893
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(2-methoxyethyl)-1-methyl-1,2,4-triazole
SMILESCOCCc1ncn(C)n1
InChIInChI=1S/C6H11N3O/c1-9-5-7-6(8-9)3-4-10-2/h5H,3-4H2,1-2H3
InChIKeyNTLCMADBWUAVOF-UHFFFAOYSA-N
XLogP0.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole (CID 143987893) is 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole is COCCc1ncn(C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole?
The InChIKey is NTLCMADBWUAVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-5-7-6(8-9)3-4-10-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole?
3-(2-methoxyethyl)-1-methyl-1,2,4-triazole has a molecular weight of 141.17 g/mol, XLogP of 0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 143987893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).