2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C16H18N8O2 — CID 118770104

About 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 118770104) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 118770104
• Molecular Formula: C16H18N8O2
• Molecular Weight: 354.37 g/mol
• Exact Mass: 354.16
• IUPAC Name: 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: Cc1nc2ncc(C(=O)NC3CCCN(c4ncccn4)C3)c(=O)n2[nH]1
• InChI: InChI=1S/C16H18N8O2/c1-10-20-16-19-8-12(14(26)24(16)22-10)13(25)21-11-4-2-7-23(9-11)15-17-5-3-6-18-15/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,21,25)(H,19,20,22)
• InChIKey: SQJNAWXSHRDWJB-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 121.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.37
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 118770104) is 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2ncc(C(=O)NC3CCCN(c4ncccn4)C3)c(=O)n2[nH]1.

What is the InChIKey of 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is SQJNAWXSHRDWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c1-10-20-16-19-8-12(14(26)24(16)22-10)13(25)21-11-4-2-7-23(9-11)15-17-5-3-6-18-15/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,21,25)(H,19,20,22).

What are the key properties of 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 354.37 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118770104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).