5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole

C16H15N3O — CID 75388829

IUPAC5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
SMILESCc1ccc(COc2ccccc2-c2ncn[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-20-15-5-3-2-4-14(15)16-17-11-18-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyIEQRMJZWGOSINU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.36
Rot. Bonds4

About 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole

5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole (PubChem CID 75388829) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
PubChem CID75388829
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
SMILESCc1ccc(COc2ccccc2-c2ncn[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-20-15-5-3-2-4-14(15)16-17-11-18-19-16/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyIEQRMJZWGOSINU-UHFFFAOYSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole (CID 75388829) is 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole is Cc1ccc(COc2ccccc2-c2ncn[nH]2)cc1.
What is the InChIKey of 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole?
The InChIKey is IEQRMJZWGOSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-6-8-13(9-7-12)10-20-15-5-3-2-4-14(15)16-17-11-18-19-16/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole?
5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole has a molecular weight of 265.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 75388829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).