N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C₁₄H₁₂BrN₅ — CID 61167896

About N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61167896) has the molecular formula C₁₄H₁₂BrN₅ and a molecular weight of 330.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
• PubChem CID: 61167896
• Molecular Formula: C₁₄H₁₂BrN₅
• Molecular Weight: 330.19 g/mol
• Exact Mass: 329.03
• IUPAC Name: N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
• SMILES: Brc1ccc(CNc2cccnc2-n2cncn2)cc1
• InChI: InChI=1S/C14H12BrN5/c15-12-5-3-11(4-6-12)8-18-13-2-1-7-17-14(13)20-10-16-9-19-20/h1-7,9-10,18H,8H2
• InChIKey: MGZILRDANQLMKL-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.19
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The IUPAC name of N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61167896) is N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is Brc1ccc(CNc2cccnc2-n2cncn2)cc1.

What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The InChIKey is MGZILRDANQLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c15-12-5-3-11(4-6-12)8-18-13-2-1-7-17-14(13)20-10-16-9-19-20/h1-7,9-10,18H,8H2.

What are the key properties of N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 330.19 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61167896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61167896 — identifiers, structure, computed properties (public domain)

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