5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine

C15H12F2N4 — CID 82370705

IUPAC5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)cc1
InChIInChI=1S/C15H12F2N4/c1-9-2-5-11(6-3-9)21-15(18)14(19-20-21)10-4-7-12(16)13(17)8-10/h2-8H,18H2,1H3
InChIKeyLYACPGLEKQXARI-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.10
Rot. Bonds2

About 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine

5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine (PubChem CID 82370705) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
PubChem CID82370705
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)cc1
InChIInChI=1S/C15H12F2N4/c1-9-2-5-11(6-3-9)21-15(18)14(19-20-21)10-4-7-12(16)13(17)8-10/h2-8H,18H2,1H3
InChIKeyLYACPGLEKQXARI-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
CID 82370682
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
CID 82370698
3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
CID 82370798
5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 15998416

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine (CID 82370705) is 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine is Cc1ccc(-n2nnc(-c3ccc(F)c(F)c3)c2N)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine?
The InChIKey is LYACPGLEKQXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c1-9-2-5-11(6-3-9)21-15(18)14(19-20-21)10-4-7-12(16)13(17)8-10/h2-8H,18H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine?
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine has a molecular weight of 286.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine is sourced from PubChem (CID 82370705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).