1,4-bis(4-methoxyphenyl)-5-methyltriazole

C17H17N3O2 — CID 118737669

IUPAC1,4-bis(4-methoxyphenyl)-5-methyltriazole
SMILESCOc1ccc(-c2nnn(-c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C17H17N3O2/c1-12-17(13-4-8-15(21-2)9-5-13)18-19-20(12)14-6-10-16(22-3)11-7-14/h4-11H,1-3H3
InChIKeyDKRRXOIZHZCNFP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds4

About 1,4-bis(4-methoxyphenyl)-5-methyltriazole

1,4-bis(4-methoxyphenyl)-5-methyltriazole (PubChem CID 118737669) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,4-bis(4-methoxyphenyl)-5-methyltriazole.

Molecular Properties

Compound Name1,4-bis(4-methoxyphenyl)-5-methyltriazole
PubChem CID118737669
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1,4-bis(4-methoxyphenyl)-5-methyltriazole
SMILESCOc1ccc(-c2nnn(-c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C17H17N3O2/c1-12-17(13-4-8-15(21-2)9-5-13)18-19-20(12)14-6-10-16(22-3)11-7-14/h4-11H,1-3H3
InChIKeyDKRRXOIZHZCNFP-UHFFFAOYSA-N
XLogP3.26
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179259
1,6-Bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179628
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
(E)-2-(benzotriazol-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 6475811
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
6-[4-(4-Methoxyphenyl)triazol-1-yl]-1,2lambda6-benzoxathiine 2,2-dioxide
CID 71545217
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole-4-carbonitrile
CID 73333088

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methoxyphenyl)-5-methyltriazole?
The IUPAC name of 1,4-bis(4-methoxyphenyl)-5-methyltriazole (CID 118737669) is 1,4-bis(4-methoxyphenyl)-5-methyltriazole.
What is the SMILES notation for 1,4-bis(4-methoxyphenyl)-5-methyltriazole?
The canonical SMILES for 1,4-bis(4-methoxyphenyl)-5-methyltriazole is COc1ccc(-c2nnn(-c3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of 1,4-bis(4-methoxyphenyl)-5-methyltriazole?
The InChIKey is DKRRXOIZHZCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-17(13-4-8-15(21-2)9-5-13)18-19-20(12)14-6-10-16(22-3)11-7-14/h4-11H,1-3H3.
What are the key properties of 1,4-bis(4-methoxyphenyl)-5-methyltriazole?
1,4-bis(4-methoxyphenyl)-5-methyltriazole has a molecular weight of 295.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methoxyphenyl)-5-methyltriazole is sourced from PubChem (CID 118737669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).