N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine

C18H15N9S — CID 134204836

About N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine

N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine (PubChem CID 134204836) has the molecular formula C18H15N9S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine
• PubChem CID: 134204836
• Molecular Formula: C18H15N9S
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.12
• IUPAC Name: N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine
• SMILES: Cn1nccc1Nc1nccc(-c2cc3nnc(Cc4cccs4)n3cn2)n1
• InChI: InChI=1S/C18H15N9S/c1-26-15(5-7-21-26)23-18-19-6-4-13(22-18)14-10-17-25-24-16(27(17)11-20-14)9-12-3-2-8-28-12/h2-8,10-11H,9H2,1H3,(H,19,22,23)
• InChIKey: REVOGZOWJZJOMU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 98.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.45
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine?

The IUPAC name of N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine (CID 134204836) is N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine.

What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine?

The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine is Cn1nccc1Nc1nccc(-c2cc3nnc(Cc4cccs4)n3cn2)n1.

What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine?

The InChIKey is REVOGZOWJZJOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N9S/c1-26-15(5-7-21-26)23-18-19-6-4-13(22-18)14-10-17-25-24-16(27(17)11-20-14)9-12-3-2-8-28-12/h2-8,10-11H,9H2,1H3,(H,19,22,23).

What are the key properties of N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine?

N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine has a molecular weight of 389.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 134204836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).