N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C₁₂H₁₆N₆ — CID 155941768

About N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 155941768) has the molecular formula C₁₂H₁₆N₆ and a molecular weight of 244.30 g/mol. Its IUPAC name is N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
• PubChem CID: 155941768
• Molecular Formula: C₁₂H₁₆N₆
• Molecular Weight: 244.30 g/mol
• Exact Mass: 244.14
• IUPAC Name: N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
• SMILES: c1nc(NC2CCCCC2)cc(-n2cncn2)n1
• InChI: InChI=1S/C12H16N6/c1-2-4-10(5-3-1)17-11-6-12(15-8-14-11)18-9-13-7-16-18/h6-10H,1-5H2,(H,14,15,17)
• InChIKey: TYNOMEFTZSLQLQ-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.30
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

The IUPAC name of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 155941768) is N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

What is the SMILES notation for N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

The canonical SMILES for N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is c1nc(NC2CCCCC2)cc(-n2cncn2)n1.

What is the InChIKey of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

The InChIKey is TYNOMEFTZSLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-4-10(5-3-1)17-11-6-12(15-8-14-11)18-9-13-7-16-18/h6-10H,1-5H2,(H,14,15,17).

What are the key properties of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?

N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 155941768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155941768 — identifiers, structure, computed properties (public domain)

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