ethane;1-(4-methoxyphenyl)-4-methyltriazole

C14H23N3O — CID 143999618

IUPACethane;1-(4-methoxyphenyl)-4-methyltriazole
SMILESCC.CC.COc1ccc(-n2cc(C)nn2)cc1
InChIInChI=1S/C10H11N3O.2C2H6/c1-8-7-13(12-11-8)9-3-5-10(14-2)6-4-9;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyJGDXJWYHXBHVBS-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.64
Rot. Bonds2

About ethane;1-(4-methoxyphenyl)-4-methyltriazole

ethane;1-(4-methoxyphenyl)-4-methyltriazole (PubChem CID 143999618) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is ethane;1-(4-methoxyphenyl)-4-methyltriazole.

Molecular Properties

Compound Nameethane;1-(4-methoxyphenyl)-4-methyltriazole
PubChem CID143999618
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Nameethane;1-(4-methoxyphenyl)-4-methyltriazole
SMILESCC.CC.COc1ccc(-n2cc(C)nn2)cc1
InChIInChI=1S/C10H11N3O.2C2H6/c1-8-7-13(12-11-8)9-3-5-10(14-2)6-4-9;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyJGDXJWYHXBHVBS-UHFFFAOYSA-N
XLogP3.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
CID 157044082
1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167721
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66204621
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946
2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66204828
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
5-(4-methyltriazol-1-yl)pyridin-2-amine
CID 139416951
2-methyl-5-(4-methyltriazol-1-yl)aniline
CID 68603836
(2E,6E)-2,6-bis[[1-(4-methoxyphenyl)triazol-4-yl]methylidene]cyclohexan-1-one
CID 138858401
3,6-bis[1-(4-methoxyphenyl)triazol-4-yl]-9H-carbazole
CID 138740936

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxyphenyl)-4-methyltriazole?
The IUPAC name of ethane;1-(4-methoxyphenyl)-4-methyltriazole (CID 143999618) is ethane;1-(4-methoxyphenyl)-4-methyltriazole.
What is the SMILES notation for ethane;1-(4-methoxyphenyl)-4-methyltriazole?
The canonical SMILES for ethane;1-(4-methoxyphenyl)-4-methyltriazole is CC.CC.COc1ccc(-n2cc(C)nn2)cc1.
What is the InChIKey of ethane;1-(4-methoxyphenyl)-4-methyltriazole?
The InChIKey is JGDXJWYHXBHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.2C2H6/c1-8-7-13(12-11-8)9-3-5-10(14-2)6-4-9;2*1-2/h3-7H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(4-methoxyphenyl)-4-methyltriazole?
ethane;1-(4-methoxyphenyl)-4-methyltriazole has a molecular weight of 249.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxyphenyl)-4-methyltriazole is sourced from PubChem (CID 143999618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).