N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine

C21H16N10 — CID 59341944

About N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine (PubChem CID 59341944) has the molecular formula C21H16N10 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine.

Molecular Properties

• Compound Name: N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
• PubChem CID: 59341944
• Molecular Formula: C21H16N10
• Molecular Weight: 408.43 g/mol
• Exact Mass: 408.16
• IUPAC Name: N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
• SMILES: c1cnc2ccc(Cn3nnc4ncc(NCc5cnn6cccnc56)nc43)cc2c1
• InChI: InChI=1S/C21H16N10/c1-3-15-9-14(4-5-17(15)22-6-1)13-31-21-19(28-29-31)25-12-18(27-21)24-10-16-11-26-30-8-2-7-23-20(16)30/h1-9,11-12H,10,13H2,(H,24,27)
• InChIKey: MINRFWJTEXUSPY-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 111.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.43
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?

The IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine (CID 59341944) is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine.

What is the SMILES notation for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?

The canonical SMILES for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine is c1cnc2ccc(Cn3nnc4ncc(NCc5cnn6cccnc56)nc43)cc2c1.

What is the InChIKey of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?

The InChIKey is MINRFWJTEXUSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N10/c1-3-15-9-14(4-5-17(15)22-6-1)13-31-21-19(28-29-31)25-12-18(27-21)24-10-16-11-26-30-8-2-7-23-20(16)30/h1-9,11-12H,10,13H2,(H,24,27).

What are the key properties of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine has a molecular weight of 408.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 59341944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).