(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine

C₁₁H₁₉N₅ — CID 155776254

About (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine

(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine (PubChem CID 155776254) has the molecular formula C₁₁H₁₉N₅ and a molecular weight of 221.31 g/mol. Its IUPAC name is (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine
• PubChem CID: 155776254
• Molecular Formula: C₁₁H₁₉N₅
• Molecular Weight: 221.31 g/mol
• Exact Mass: 221.16
• IUPAC Name: (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine
• SMILES: CN(C)C1CCN/C(=C/C2CC=NN=N2)C1
• InChI: InChI=1S/C11H19N5/c1-16(2)11-4-5-12-10(8-11)7-9-3-6-13-15-14-9/h6-7,9,11-12H,3-5,8H2,1-2H3/b10-7+
• InChIKey: JTJXSUWFWMENRI-JXMROGBWSA-N
• XLogP: 1.39
• TPSA: 52.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.31
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?

The IUPAC name of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine (CID 155776254) is (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine.

What is the SMILES notation for (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?

The canonical SMILES for (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN/C(=C/C2CC=NN=N2)C1.

What is the InChIKey of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?

The InChIKey is JTJXSUWFWMENRI-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19N5/c1-16(2)11-4-5-12-10(8-11)7-9-3-6-13-15-14-9/h6-7,9,11-12H,3-5,8H2,1-2H3/b10-7+.

What are the key properties of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?

(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine has a molecular weight of 221.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 155776254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155776254 — identifiers, structure, computed properties (public domain)

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