4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole

C14H19N3O2 — CID 75517770

IUPAC4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole
SMILESCCn1c(C)nnc1COc1cccc(COC)c1
InChIInChI=1S/C14H19N3O2/c1-4-17-11(2)15-16-14(17)10-19-13-7-5-6-12(8-13)9-18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyGQQISEFHEFSUCY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds6

About 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole

4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole (PubChem CID 75517770) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole
PubChem CID75517770
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole
SMILESCCn1c(C)nnc1COc1cccc(COC)c1
InChIInChI=1S/C14H19N3O2/c1-4-17-11(2)15-16-14(17)10-19-13-7-5-6-12(8-13)9-18-3/h5-8H,4,9-10H2,1-3H3
InChIKeyGQQISEFHEFSUCY-UHFFFAOYSA-N
XLogP2.33
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 54929076
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
CID 19634245
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole
CID 75499140
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
[3-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 63984221
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(methoxymethyl)aniline
CID 54965119
1-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-[3-(1-methoxyethenyl)phenyl]propan-2-one
CID 161251826
3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole
CID 17265036

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole (CID 75517770) is 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole is CCn1c(C)nnc1COc1cccc(COC)c1.
What is the InChIKey of 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole?
The InChIKey is GQQISEFHEFSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-11(2)15-16-14(17)10-19-13-7-5-6-12(8-13)9-18-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole?
4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole has a molecular weight of 261.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole is sourced from PubChem (CID 75517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).