3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine

C14H10F2N4 — CID 82370255

IUPAC3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
SMILESNc1c(-c2ccc(F)cc2)nnn1-c1cccc(F)c1
InChIInChI=1S/C14H10F2N4/c15-10-6-4-9(5-7-10)13-14(17)20(19-18-13)12-3-1-2-11(16)8-12/h1-8H,17H2
InChIKeyYTBPJBRKKZFWLO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.79
Rot. Bonds2

About 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine

3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine (PubChem CID 82370255) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
PubChem CID82370255
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
SMILESNc1c(-c2ccc(F)cc2)nnn1-c1cccc(F)c1
InChIInChI=1S/C14H10F2N4/c15-10-6-4-9(5-7-10)13-14(17)20(19-18-13)12-3-1-2-11(16)8-12/h1-8H,17H2
InChIKeyYTBPJBRKKZFWLO-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370384
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
CID 82370798
5-(4-fluorophenyl)-3-methyltriazol-4-amine
CID 83637005

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine?
The IUPAC name of 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine (CID 82370255) is 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine?
The canonical SMILES for 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine is Nc1c(-c2ccc(F)cc2)nnn1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine?
The InChIKey is YTBPJBRKKZFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-10-6-4-9(5-7-10)13-14(17)20(19-18-13)12-3-1-2-11(16)8-12/h1-8H,17H2.
What are the key properties of 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine?
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine has a molecular weight of 272.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine is sourced from PubChem (CID 82370255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).