N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C₁₂H₁₁N₇ — CID 62762369

About N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 62762369) has the molecular formula C₁₂H₁₁N₇ and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
• PubChem CID: 62762369
• Molecular Formula: C₁₂H₁₁N₇
• Molecular Weight: 253.27 g/mol
• Exact Mass: 253.11
• IUPAC Name: N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
• SMILES: c1cnc(-n2cncn2)c(NCc2cnccn2)c1
• InChI: InChI=1S/C12H11N7/c1-2-11(17-7-10-6-13-4-5-15-10)12(16-3-1)19-9-14-8-18-19/h1-6,8-9,17H,7H2
• InChIKey: CUISLJBYJQQHQP-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.27
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 62762369) is N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is c1cnc(-n2cncn2)c(NCc2cnccn2)c1.

What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The InChIKey is CUISLJBYJQQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c1-2-11(17-7-10-6-13-4-5-15-10)12(16-3-1)19-9-14-8-18-19/h1-6,8-9,17H,7H2.

What are the key properties of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 253.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 62762369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62762369 — identifiers, structure, computed properties (public domain)

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