methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C14H18N6O2 — CID 135768538

About methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135768538) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 135768538
• Molecular Formula: C14H18N6O2
• Molecular Weight: 302.34 g/mol
• Exact Mass: 302.15
• IUPAC Name: methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: CCC1=C(C(=O)OC)C(c2cnn(C)c2C)n2ncnc2N1
• InChI: InChI=1S/C14H18N6O2/c1-5-10-11(13(21)22-4)12(9-6-16-19(3)8(9)2)20-14(18-10)15-7-17-20/h6-7,12H,5H2,1-4H3,(H,15,17,18)
• InChIKey: FRZDMSXGXDBBKJ-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.34
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The IUPAC name of methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 135768538) is methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the SMILES notation for methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The canonical SMILES for methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCC1=C(C(=O)OC)C(c2cnn(C)c2C)n2ncnc2N1.

What is the InChIKey of methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The InChIKey is FRZDMSXGXDBBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-5-10-11(13(21)22-4)12(9-6-16-19(3)8(9)2)20-14(18-10)15-7-17-20/h6-7,12H,5H2,1-4H3,(H,15,17,18).

What are the key properties of methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 302.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-(1,5-dimethylpyrazol-4-yl)-5-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135768538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).