4,5-bis(4-methoxyphenyl)-2H-triazole

C16H15N3O2 — CID 24807682

IUPAC4,5-bis(4-methoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-13-7-3-11(4-8-13)15-16(18-19-17-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyJDANXZRTYNBFPO-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.16
Rot. Bonds4

About 4,5-bis(4-methoxyphenyl)-2H-triazole

4,5-bis(4-methoxyphenyl)-2H-triazole (PubChem CID 24807682) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2H-triazole
PubChem CID24807682
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4,5-bis(4-methoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-13-7-3-11(4-8-13)15-16(18-19-17-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyJDANXZRTYNBFPO-UHFFFAOYSA-N
XLogP3.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
CID 59430286
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
CID 156626992
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole
CID 156627007
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
5-ethyl-4-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 105472325
2-chloro-5-ethyl-4-(4-methoxyphenyl)-1,3-oxazole
CID 105499752
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2H-triazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2H-triazole (CID 24807682) is 4,5-bis(4-methoxyphenyl)-2H-triazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2H-triazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2H-triazole is COc1ccc(-c2n[nH]nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2H-triazole?
The InChIKey is JDANXZRTYNBFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-13-7-3-11(4-8-13)15-16(18-19-17-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2H-triazole?
4,5-bis(4-methoxyphenyl)-2H-triazole has a molecular weight of 281.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2H-triazole is sourced from PubChem (CID 24807682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).