Triazolopyrimidine-Based Compound, 10

C₁₇H₁₅N₅ — CID 24882112

About Triazolopyrimidine-Based Compound, 10

Triazolopyrimidine-Based Compound, 10 (PubChem CID 24882112) has the molecular formula C₁₇H₁₅N₅ and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: Triazolopyrimidine-Based Compound, 10
• PubChem CID: 24882112
• Molecular Formula: C₁₇H₁₅N₅
• Molecular Weight: 289.34 g/mol
• Exact Mass: 289.13
• IUPAC Name: 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C
• InChI: InChI=1S/C17H15N5/c1-11-12(2)20-17-18-10-19-22(17)16(11)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10,21H,1-2H3
• InChIKey: QKTRQKWOYXJVQT-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 55.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.34
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Triazolopyrimidine-Based Compound, 10?

The IUPAC name of Triazolopyrimidine-Based Compound, 10 (CID 24882112) is 5,6-dimethyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for Triazolopyrimidine-Based Compound, 10?

The canonical SMILES for Triazolopyrimidine-Based Compound, 10 is Cc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C.

What is the InChIKey of Triazolopyrimidine-Based Compound, 10?

The InChIKey is QKTRQKWOYXJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-12(2)20-17-18-10-19-22(17)16(11)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10,21H,1-2H3.

What are the key properties of Triazolopyrimidine-Based Compound, 10?

Triazolopyrimidine-Based Compound, 10 has a molecular weight of 289.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Triazolopyrimidine-Based Compound, 10 is sourced from PubChem (CID 24882112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24882112 — identifiers, structure, computed properties (public domain)

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