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

C6H11N3O2 — CID 115393679

IUPAC3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1OC
InChIInChI=1S/C6H11N3O2/c1-10-4-3-9-5-7-8-6(9)11-2/h5H,3-4H2,1-2H3
InChIKeyVSUCCLQKSKOSNN-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.07
Rot. Bonds4

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

3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393679) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393679
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1OC
InChIInChI=1S/C6H11N3O2/c1-10-4-3-9-5-7-8-6(9)11-2/h5H,3-4H2,1-2H3
InChIKeyVSUCCLQKSKOSNN-UHFFFAOYSA-N
XLogP-0.07
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate
CID 63356235
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393679) is 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1OC.
What is the InChIKey of 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is VSUCCLQKSKOSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-10-4-3-9-5-7-8-6(9)11-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole?
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 157.17 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).