3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine

C16H15FN4 — CID 82370384

IUPAC3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
SMILESCc1cccc(C)c1-n1nnc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H15FN4/c1-10-4-3-5-11(2)15(10)21-16(18)14(19-20-21)12-6-8-13(17)9-7-12/h3-9H,18H2,1-2H3
InChIKeyAHVAADCQRRLUDY-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.27
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine

3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine (PubChem CID 82370384) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
PubChem CID82370384
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
SMILESCc1cccc(C)c1-n1nnc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H15FN4/c1-10-4-3-5-11(2)15(10)21-16(18)14(19-20-21)12-6-8-13(17)9-7-12/h3-9H,18H2,1-2H3
InChIKeyAHVAADCQRRLUDY-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
3-(2-ethyl-6-methylphenyl)-5-phenyltriazol-4-amine
CID 82370553
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
5-(4-fluorophenyl)-3-methyltriazol-4-amine
CID 83637005
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370391
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine (CID 82370384) is 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine is Cc1cccc(C)c1-n1nnc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine?
The InChIKey is AHVAADCQRRLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10-4-3-5-11(2)15(10)21-16(18)14(19-20-21)12-6-8-13(17)9-7-12/h3-9H,18H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine?
3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine has a molecular weight of 282.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine is sourced from PubChem (CID 82370384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).