3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine

C16H16N4 — CID 2768030

IUPAC3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine
SMILESCc1ccccc1-c1nnc(-c2ccccc2C)n1N
InChIInChI=1S/C16H16N4/c1-11-7-3-5-9-13(11)15-18-19-16(20(15)17)14-10-6-4-8-12(14)2/h3-10H,17H2,1-2H3
InChIKeyYCFUPKXYQAEZDO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds2

About 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine

3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine (PubChem CID 2768030) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine
PubChem CID2768030
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine
SMILESCc1ccccc1-c1nnc(-c2ccccc2C)n1N
InChIInChI=1S/C16H16N4/c1-11-7-3-5-9-13(11)15-18-19-16(20(15)17)14-10-6-4-8-12(14)2/h3-10H,17H2,1-2H3
InChIKeyYCFUPKXYQAEZDO-UHFFFAOYSA-N
XLogP2.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine (CID 2768030) is 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine is Cc1ccccc1-c1nnc(-c2ccccc2C)n1N.
What is the InChIKey of 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine?
The InChIKey is YCFUPKXYQAEZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-7-3-5-9-13(11)15-18-19-16(20(15)17)14-10-6-4-8-12(14)2/h3-10H,17H2,1-2H3.
What are the key properties of 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine?
3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine has a molecular weight of 264.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylphenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 2768030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).