5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C59H70N20O9 — CID 162081272

About 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 162081272) has the molecular formula C59H70N20O9 and a molecular weight of 1203.34 g/mol. Its IUPAC name is 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 162081272
• Molecular Formula: C59H70N20O9
• Molecular Weight: 1203.34 g/mol
• Exact Mass: 1202.56
• IUPAC Name: 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: COc1ccc(CNc2nc(C)c(C)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(C=O)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC.Cc1nc2c(C=O)c(C)nc(N)n2n1
• InChI: InChI=1S/C17H21N5O3.C17H19N5O3.C17H21N5O2.C8H9N5O/c2*1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-10-11(2)19-17(22-16(10)20-12(3)21-22)18-9-13-6-7-14(23-4)15(8-13)24-5;1-4-6(3-14)7-11-5(2)12-13(7)8(9)10-4/h5-7,23H,8-9H2,1-4H3,(H,18,19);5-7,9H,8H2,1-4H3,(H,18,19);6-8H,9H2,1-5H3,(H,18,19);3H,1-2H3,(H2,9,10)
• InChIKey: ZCJKIPCMNAWVSL-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 344.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.34
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 162081272) is 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CNc2nc(C)c(C)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(C=O)c3nc(C)nn23)cc1OC.COc1ccc(CNc2nc(C)c(CO)c3nc(C)nn23)cc1OC.Cc1nc2c(C=O)c(C)nc(N)n2n1.

What is the InChIKey of 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is ZCJKIPCMNAWVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.C17H19N5O3.C17H21N5O2.C8H9N5O/c2*1-10-13(9-23)16-20-11(2)21-22(16)17(19-10)18-8-12-5-6-14(24-3)15(7-12)25-4;1-10-11(2)19-17(22-16(10)20-12(3)21-22)18-9-13-6-7-14(23-4)15(8-13)24-5;1-4-6(3-14)7-11-5(2)12-13(7)8(9)10-4/h5-7,23H,8-9H2,1-4H3,(H,18,19);5-7,9H,8H2,1-4H3,(H,18,19);6-8H,9H2,1-5H3,(H,18,19);3H,1-2H3,(H2,9,10).

What are the key properties of 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 1203.34 g/mol, XLogP of 6.86, 18 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 162081272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).