N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C19H18N6O2 — CID 133276862

About N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 133276862) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
• PubChem CID: 133276862
• Molecular Formula: C19H18N6O2
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.15
• IUPAC Name: N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
• SMILES: CC(Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)NCc1ccco1
• InChI: InChI=1S/C19H18N6O2/c1-13(18(26)20-11-15-8-5-9-27-15)23-17-10-16(14-6-3-2-4-7-14)24-19-21-12-22-25(17)19/h2-10,12-13,23H,11H2,1H3,(H,20,26)
• InChIKey: ICYRJBYIAYYGIA-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 97.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 133276862) is N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is CC(Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)NCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

The InChIKey is ICYRJBYIAYYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13(18(26)20-11-15-8-5-9-27-15)23-17-10-16(14-6-3-2-4-7-14)24-19-21-12-22-25(17)19/h2-10,12-13,23H,11H2,1H3,(H,20,26).

What are the key properties of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 362.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 133276862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).