7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C13H15N7O — CID 61004751

About 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 61004751) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 61004751
• Molecular Formula: C13H15N7O
• Molecular Weight: 285.31 g/mol
• Exact Mass: 285.13
• IUPAC Name: 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCc1c(C(=O)NCc2cn[nH]c2C)cnc2ncnn12
• InChI: InChI=1S/C13H15N7O/c1-3-11-10(6-15-13-16-7-18-20(11)13)12(21)14-4-9-5-17-19-8(9)2/h5-7H,3-4H2,1-2H3,(H,14,21)(H,17,19)
• InChIKey: DZIMZUIHLKHOJC-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.31
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 61004751) is 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NCc2cn[nH]c2C)cnc2ncnn12.

What is the InChIKey of 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is DZIMZUIHLKHOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-3-11-10(6-15-13-16-7-18-20(11)13)12(21)14-4-9-5-17-19-8(9)2/h5-7H,3-4H2,1-2H3,(H,14,21)(H,17,19).

What are the key properties of 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 61004751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).