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

C16H15FN4 — CID 82370210

IUPAC5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
SMILESCc1ccc(-c2nnn(-c3ccc(F)cc3)c2N)cc1C
InChIInChI=1S/C16H15FN4/c1-10-3-4-12(9-11(10)2)15-16(18)21(20-19-15)14-7-5-13(17)6-8-14/h3-9H,18H2,1-2H3
InChIKeyQGMCMHCPVDXNFB-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.27
Rot. Bonds2

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

5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine (PubChem CID 82370210) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
PubChem CID82370210
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
SMILESCc1ccc(-c2nnn(-c3ccc(F)cc3)c2N)cc1C
InChIInChI=1S/C16H15FN4/c1-10-3-4-12(9-11(10)2)15-16(18)21(20-19-15)14-7-5-13(17)6-8-14/h3-9H,18H2,1-2H3
InChIKeyQGMCMHCPVDXNFB-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
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
CID 82370798
3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370384
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
CID 82370682
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
2-[5-amino-4-(3,4-dimethylphenyl)triazol-1-yl]benzonitrile
CID 82370409

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine (CID 82370210) is 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine is Cc1ccc(-c2nnn(-c3ccc(F)cc3)c2N)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine?
The InChIKey is QGMCMHCPVDXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10-3-4-12(9-11(10)2)15-16(18)21(20-19-15)14-7-5-13(17)6-8-14/h3-9H,18H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine?
5-(3,4-dimethylphenyl)-3-(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 5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine is sourced from PubChem (CID 82370210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).