3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine

C15H13ClN4 — CID 82370797

IUPAC3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-c2nnn(-c3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C15H13ClN4/c1-10-5-7-11(8-6-10)14-15(17)20(19-18-14)13-4-2-3-12(16)9-13/h2-9H,17H2,1H3
InChIKeyWGVPBLRTQOTPQM-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.48
Rot. Bonds2

About 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine

3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine (PubChem CID 82370797) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
PubChem CID82370797
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
SMILESCc1ccc(-c2nnn(-c3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C15H13ClN4/c1-10-5-7-11(8-6-10)14-15(17)20(19-18-14)13-4-2-3-12(16)9-13/h2-9H,17H2,1H3
InChIKeyWGVPBLRTQOTPQM-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
CID 82370798
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
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
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
CID 82370682
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine (CID 82370797) is 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine is Cc1ccc(-c2nnn(-c3cccc(Cl)c3)c2N)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine?
The InChIKey is WGVPBLRTQOTPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10-5-7-11(8-6-10)14-15(17)20(19-18-14)13-4-2-3-12(16)9-13/h2-9H,17H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine?
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine has a molecular weight of 284.75 g/mol, XLogP of 3.48, 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-(4-methylphenyl)triazol-4-amine is sourced from PubChem (CID 82370797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).