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

C14H15N5O — CID 67797926

IUPAC3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
SMILESCOc1cc(-c2n[nH]c(C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C14H15N5O/c1-9-7-19(8-15-9)12-5-4-11(6-13(12)20-3)14-16-10(2)17-18-14/h4-8H,1-3H3,(H,16,17,18)
InChIKeyBQYAQSQEZONDSX-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.28
Rot. Bonds3

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

3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole (PubChem CID 67797926) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
PubChem CID67797926
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
SMILESCOc1cc(-c2n[nH]c(C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C14H15N5O/c1-9-7-19(8-15-9)12-5-4-11(6-13(12)20-3)14-16-10(2)17-18-14/h4-8H,1-3H3,(H,16,17,18)
InChIKeyBQYAQSQEZONDSX-UHFFFAOYSA-N
XLogP2.28
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
CID 66857127
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
1-(4-fluorophenyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-propan-2-yl-1,2,4-triazole
CID 67606398
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 171679924
azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
CID 158028310
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-N-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-amine
CID 66855626
5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(5-methoxy-2-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 67606450
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazole
CID 171679787
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole (CID 67797926) is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole is COc1cc(-c2n[nH]c(C)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is BQYAQSQEZONDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-7-19(8-15-9)12-5-4-11(6-13(12)20-3)14-16-10(2)17-18-14/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole?
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 269.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 67797926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).