5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide

C14H17N7O — CID 134695637

About 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 134695637) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide
• PubChem CID: 134695637
• Molecular Formula: C14H17N7O
• Molecular Weight: 299.34 g/mol
• Exact Mass: 299.15
• IUPAC Name: 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccn2c(NC(=O)c3cc(CC(C)C)[nH]n3)nnc2n1
• InChI: InChI=1S/C14H17N7O/c1-8(2)6-10-7-11(18-17-10)12(22)16-14-20-19-13-15-9(3)4-5-21(13)14/h4-5,7-8H,6H2,1-3H3,(H,17,18)(H,16,20,22)
• InChIKey: YACDCVJEKXAEOV-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.34
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide (CID 134695637) is 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide is Cc1ccn2c(NC(=O)c3cc(CC(C)C)[nH]n3)nnc2n1.

What is the InChIKey of 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide?

The InChIKey is YACDCVJEKXAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-8(2)6-10-7-11(18-17-10)12(22)16-14-20-19-13-15-9(3)4-5-21(13)14/h4-5,7-8H,6H2,1-3H3,(H,17,18)(H,16,20,22).

What are the key properties of 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide?

5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methylpropyl)-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 134695637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).