3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine

C34H30N14O6 — CID 157432251

About 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine

3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 157432251) has the molecular formula C34H30N14O6 and a molecular weight of 730.71 g/mol. Its IUPAC name is 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
• PubChem CID: 157432251
• Molecular Formula: C34H30N14O6
• Molecular Weight: 730.71 g/mol
• Exact Mass: 730.25
• IUPAC Name: 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
• SMILES: CNC(=O)c1cccc(Cn2nnc3c(-c4ccc(C)o4)nc(N)nc32)c1.COc1ccc([N+](=O)[O-])cc1Cn1nnc2c(-c3ccco3)nc(N)nc21
• InChI: InChI=1S/C18H17N7O2.C16H13N7O4/c1-10-6-7-13(27-10)14-15-16(22-18(19)21-14)25(24-23-15)9-11-4-3-5-12(8-11)17(26)20-2;1-26-11-5-4-10(23(24)25)7-9(11)8-22-15-14(20-21-22)13(18-16(17)19-15)12-3-2-6-27-12/h3-8H,9H2,1-2H3,(H,20,26)(H2,19,21,22);2-7H,8H2,1H3,(H2,17,18,19)
• InChIKey: BQRHSKNBPIRLPD-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 272.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.71
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine?

The IUPAC name of 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 157432251) is 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine.

What is the SMILES notation for 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine?

The canonical SMILES for 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine is CNC(=O)c1cccc(Cn2nnc3c(-c4ccc(C)o4)nc(N)nc32)c1.COc1ccc([N+](=O)[O-])cc1Cn1nnc2c(-c3ccco3)nc(N)nc21.

What is the InChIKey of 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine?

The InChIKey is BQRHSKNBPIRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2.C16H13N7O4/c1-10-6-7-13(27-10)14-15-16(22-18(19)21-14)25(24-23-15)9-11-4-3-5-12(8-11)17(26)20-2;1-26-11-5-4-10(23(24)25)7-9(11)8-22-15-14(20-21-22)13(18-16(17)19-15)12-3-2-6-27-12/h3-8H,9H2,1-2H3,(H,20,26)(H2,19,21,22);2-7H,8H2,1H3,(H2,17,18,19).

What are the key properties of 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine?

3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 730.71 g/mol, XLogP of 3.81, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-amino-7-(5-methylfuran-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methylbenzamide;7-(furan-2-yl)-3-[(2-methoxy-5-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 157432251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).