3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine

C15H12Cl2N4O — CID 2738977

IUPAC3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-c2nnn(-c3ccc(Cl)cc3Cl)c2N)cc1
InChIInChI=1S/C15H12Cl2N4O/c1-22-11-5-2-9(3-6-11)14-15(18)21(20-19-14)13-7-4-10(16)8-12(13)17/h2-8H,18H2,1H3
InChIKeyYLZARLJSOWWBNL-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.83
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine

3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine (PubChem CID 2738977) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine
PubChem CID2738977
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-c2nnn(-c3ccc(Cl)cc3Cl)c2N)cc1
InChIInChI=1S/C15H12Cl2N4O/c1-22-11-5-2-9(3-6-11)14-15(18)21(20-19-14)13-7-4-10(16)8-12(13)17/h2-8H,18H2,1H3
InChIKeyYLZARLJSOWWBNL-UHFFFAOYSA-N
XLogP3.83
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine (CID 2738977) is 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine is COc1ccc(-c2nnn(-c3ccc(Cl)cc3Cl)c2N)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine?
The InChIKey is YLZARLJSOWWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-22-11-5-2-9(3-6-11)14-15(18)21(20-19-14)13-7-4-10(16)8-12(13)17/h2-8H,18H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine?
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine has a molecular weight of 335.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 2738977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).