N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine

C32H27FN14O3 — CID 162229792

About N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine

N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 162229792) has the molecular formula C32H27FN14O3 and a molecular weight of 674.66 g/mol. Its IUPAC name is N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
• PubChem CID: 162229792
• Molecular Formula: C32H27FN14O3
• Molecular Weight: 674.66 g/mol
• Exact Mass: 674.24
• IUPAC Name: N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
• SMILES: CC(=O)NCc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1.Nc1nc(-c2cnco2)c2nnn(Cc3ccccc3F)c2n1
• InChI: InChI=1S/C18H17N7O2.C14H10FN7O/c1-11(26)20-9-12-4-2-5-13(8-12)10-25-17-16(23-24-25)15(21-18(19)22-17)14-6-3-7-27-14;15-9-4-2-1-3-8(9)6-22-13-12(20-21-22)11(18-14(16)19-13)10-5-17-7-23-10/h2-8H,9-10H2,1H3,(H,20,26)(H2,19,21,22);1-5,7H,6H2,(H2,16,18,19)
• InChIKey: ZVGNVLMPKPCBJW-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 233.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.66
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?

The IUPAC name of N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 162229792) is N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine.

What is the SMILES notation for N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?

The canonical SMILES for N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine is CC(=O)NCc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1.Nc1nc(-c2cnco2)c2nnn(Cc3ccccc3F)c2n1.

What is the InChIKey of N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?

The InChIKey is ZVGNVLMPKPCBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2.C14H10FN7O/c1-11(26)20-9-12-4-2-5-13(8-12)10-25-17-16(23-24-25)15(21-18(19)22-17)14-6-3-7-27-14;15-9-4-2-1-3-8(9)6-22-13-12(20-21-22)11(18-14(16)19-13)10-5-17-7-23-10/h2-8H,9-10H2,1H3,(H,20,26)(H2,19,21,22);1-5,7H,6H2,(H2,16,18,19).

What are the key properties of N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine?

N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 674.66 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]methyl]acetamide;3-[(2-fluorophenyl)methyl]-7-(1,3-oxazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 162229792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).