4-(2,5-dimethoxyphenyl)-2-phenyltriazole

C16H15N3O2 — CID 122188127

IUPAC4-(2,5-dimethoxyphenyl)-2-phenyltriazole
SMILESCOc1ccc(OC)c(-c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C16H15N3O2/c1-20-13-8-9-16(21-2)14(10-13)15-11-17-19(18-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyVKDFVMZUTCCHGI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.95
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-2-phenyltriazole

4-(2,5-dimethoxyphenyl)-2-phenyltriazole (PubChem CID 122188127) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-phenyltriazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-phenyltriazole
PubChem CID122188127
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-(2,5-dimethoxyphenyl)-2-phenyltriazole
SMILESCOc1ccc(OC)c(-c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C16H15N3O2/c1-20-13-8-9-16(21-2)14(10-13)15-11-17-19(18-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyVKDFVMZUTCCHGI-UHFFFAOYSA-N
XLogP2.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Methoxyphenyl)-1H-1,2,3-triazole
CID 9877511
4-(3-Methoxyphenyl)-1H-1,2,3-triazole
CID 44446804
3-(2,5-Dimethoxyphenyl)-1H-Pyrazole
CID 18801454
4-[3-(2-ethylhexoxy)phenyl]-2H-triazole
CID 145966376
4-(3-octoxyphenyl)-2H-triazole
CID 145973931
4-[2-(2-ethylhexoxy)phenyl]-2H-triazole
CID 145975338
4-(3-phenylmethoxyphenyl)-2H-triazole
CID 9813690
1-[(3-Methoxyphenyl)methyl]-5-phenyltriazole
CID 14612079
5-(2-Methoxyphenyl)-1-phenyltriazole
CID 71451156
4-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole
CID 122188130
4-[3-[(4-methylphenyl)methoxy]phenyl]-2H-triazole
CID 145964796
4-[3-(2-Ethylhexoxy)phenyl]-2-methyltriazole
CID 145966608

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-phenyltriazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-phenyltriazole (CID 122188127) is 4-(2,5-dimethoxyphenyl)-2-phenyltriazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-phenyltriazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-phenyltriazole is COc1ccc(OC)c(-c2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-phenyltriazole?
The InChIKey is VKDFVMZUTCCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-13-8-9-16(21-2)14(10-13)15-11-17-19(18-15)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-phenyltriazole?
4-(2,5-dimethoxyphenyl)-2-phenyltriazole has a molecular weight of 281.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-phenyltriazole is sourced from PubChem (CID 122188127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).