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

C16H15ClN4 — CID 82370798

IUPAC3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
SMILESCc1ccc(-c2nnn(-c3cccc(Cl)c3)c2N)cc1C
InChIInChI=1S/C16H15ClN4/c1-10-6-7-12(8-11(10)2)15-16(18)21(20-19-15)14-5-3-4-13(17)9-14/h3-9H,18H2,1-2H3
InChIKeyDBQUEJFQUHRYCS-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.79
Rot. Bonds2

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

3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine (PubChem CID 82370798) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
PubChem CID82370798
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
SMILESCc1ccc(-c2nnn(-c3cccc(Cl)c3)c2N)cc1C
InChIInChI=1S/C16H15ClN4/c1-10-6-7-12(8-11(10)2)15-16(18)21(20-19-15)14-5-3-4-13(17)9-14/h3-9H,18H2,1-2H3
InChIKeyDBQUEJFQUHRYCS-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
2-[5-amino-4-(3,4-dimethylphenyl)triazol-1-yl]benzonitrile
CID 82370409
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 2053193
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine (CID 82370798) is 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine is Cc1ccc(-c2nnn(-c3cccc(Cl)c3)c2N)cc1C.
What is the InChIKey of 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine?
The InChIKey is DBQUEJFQUHRYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-10-6-7-12(8-11(10)2)15-16(18)21(20-19-15)14-5-3-4-13(17)9-14/h3-9H,18H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine?
3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine has a molecular weight of 298.78 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine is sourced from PubChem (CID 82370798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).