[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol

C₁₂H₂₀N₄O — CID 104919071

About [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol

[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol (PubChem CID 104919071) has the molecular formula C₁₂H₂₀N₄O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol.

Molecular Properties

• Compound Name: [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol
• PubChem CID: 104919071
• Molecular Formula: C₁₂H₂₀N₄O
• Molecular Weight: 236.32 g/mol
• Exact Mass: 236.16
• IUPAC Name: [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol
• SMILES: Cc1nnc(NC2CCCCC2CO)nc1C
• InChI: InChI=1S/C12H20N4O/c1-8-9(2)15-16-12(13-8)14-11-6-4-3-5-10(11)7-17/h10-11,17H,3-7H2,1-2H3,(H,13,14,16)
• InChIKey: NRFKVWLKEAXALS-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 70.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.32
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol?

The IUPAC name of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol (CID 104919071) is [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol.

What is the SMILES notation for [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol?

The canonical SMILES for [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol is Cc1nnc(NC2CCCCC2CO)nc1C.

What is the InChIKey of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol?

The InChIKey is NRFKVWLKEAXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-9(2)15-16-12(13-8)14-11-6-4-3-5-10(11)7-17/h10-11,17H,3-7H2,1-2H3,(H,13,14,16).

What are the key properties of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol?

[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 104919071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104919071 — identifiers, structure, computed properties (public domain)

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