6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C₁₀H₁₅N₇ — CID 80853433

About 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80853433) has the molecular formula C₁₀H₁₅N₇ and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 80853433
• Molecular Formula: C₁₀H₁₅N₇
• Molecular Weight: 233.28 g/mol
• Exact Mass: 233.14
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
• SMILES: Cc1cc(C)n(-c2nc(N)nc(N(C)C)n2)n1
• InChI: InChI=1S/C10H15N7/c1-6-5-7(2)17(15-6)10-13-8(11)12-9(14-10)16(3)4/h5H,1-4H3,(H2,11,12,13,14)
• InChIKey: LYZGURNSIAPRDK-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 85.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.28
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80853433) is 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1cc(C)n(-c2nc(N)nc(N(C)C)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

The InChIKey is LYZGURNSIAPRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-6-5-7(2)17(15-6)10-13-8(11)12-9(14-10)16(3)4/h5H,1-4H3,(H2,11,12,13,14).

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?

6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80853433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 80853433 — identifiers, structure, computed properties (public domain)

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