3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole

C12H15N3O2 — CID 121498247

IUPAC3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
SMILESCOc1n[nH]c(-c2cccc(C(C)OC)c2)n1
InChIInChI=1S/C12H15N3O2/c1-8(16-2)9-5-4-6-10(7-9)11-13-12(17-3)15-14-11/h4-8H,1-3H3,(H,13,14,15)
InChIKeyDWPOMLCOYSRAIR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.19
Rot. Bonds4

About 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole

3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole (PubChem CID 121498247) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
PubChem CID121498247
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
SMILESCOc1n[nH]c(-c2cccc(C(C)OC)c2)n1
InChIInChI=1S/C12H15N3O2/c1-8(16-2)9-5-4-6-10(7-9)11-13-12(17-3)15-14-11/h4-8H,1-3H3,(H,13,14,15)
InChIKeyDWPOMLCOYSRAIR-UHFFFAOYSA-N
XLogP2.19
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126437933
3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
CID 97434250
4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
CID 126448059
5-[3-[(1S)-1-methoxyethyl]phenyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137086671
3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
CID 126446276
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
CID 122571574
3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole
CID 121497205
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole (CID 121498247) is 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole is COc1n[nH]c(-c2cccc(C(C)OC)c2)n1.
What is the InChIKey of 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is DWPOMLCOYSRAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16-2)9-5-4-6-10(7-9)11-13-12(17-3)15-14-11/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole?
3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 233.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 121498247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).