3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole

C10H15N5O — CID 134194567

IUPAC3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
SMILESCOCCn1cnc(C)c1-c1n[nH]c(C)n1
InChIInChI=1S/C10H15N5O/c1-7-9(10-12-8(2)13-14-10)15(6-11-7)4-5-16-3/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyXEYOCFIUYIWCMP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.93
Rot. Bonds4

About 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole

3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole (PubChem CID 134194567) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
PubChem CID134194567
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
SMILESCOCCn1cnc(C)c1-c1n[nH]c(C)n1
InChIInChI=1S/C10H15N5O/c1-7-9(10-12-8(2)13-14-10)15(6-11-7)4-5-16-3/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyXEYOCFIUYIWCMP-UHFFFAOYSA-N
XLogP0.93
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole (CID 134194567) is 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole is COCCn1cnc(C)c1-c1n[nH]c(C)n1.
What is the InChIKey of 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is XEYOCFIUYIWCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-9(10-12-8(2)13-14-10)15(6-11-7)4-5-16-3/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 221.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 134194567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).