5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine

C15H12F2N4O — CID 25216158

IUPAC5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3ccc(F)cc3F)c2N)cc1
InChIInChI=1S/C15H12F2N4O/c1-22-11-5-3-10(4-6-11)21-15(18)14(19-20-21)12-7-2-9(16)8-13(12)17/h2-8H,18H2,1H3
InChIKeyXWFJEDOALHUHHM-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.80
Rot. Bonds3

About 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine

5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine (PubChem CID 25216158) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine
PubChem CID25216158
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3ccc(F)cc3F)c2N)cc1
InChIInChI=1S/C15H12F2N4O/c1-22-11-5-3-10(4-6-11)21-15(18)14(19-20-21)12-7-2-9(16)8-13(12)17/h2-8H,18H2,1H3
InChIKeyXWFJEDOALHUHHM-UHFFFAOYSA-N
XLogP2.80
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine (CID 25216158) is 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine is COc1ccc(-n2nnc(-c3ccc(F)cc3F)c2N)cc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is XWFJEDOALHUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-22-11-5-3-10(4-6-11)21-15(18)14(19-20-21)12-7-2-9(16)8-13(12)17/h2-8H,18H2,1H3.
What are the key properties of 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine?
5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 302.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 25216158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).