8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride

C17H21ClN6O — CID 135907575

About 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride

8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride (PubChem CID 135907575) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride.

Molecular Properties

• Compound Name: 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride
• PubChem CID: 135907575
• Molecular Formula: C17H21ClN6O
• Molecular Weight: 360.85 g/mol
• Exact Mass: 360.15
• IUPAC Name: 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride
• SMILES: Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=NC2c1ccccn1.Cl
• InChI: InChI=1S/C17H20N6O.ClH/c1-12-11-14(24)23-15(13-7-3-4-8-18-13)20-16(21-17(23)19-12)22-9-5-2-6-10-22;/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,19,20,21);1H
• InChIKey: JUCRKJFWYYLEBI-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 75.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.85
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride?

The IUPAC name of 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride (CID 135907575) is 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride.

What is the SMILES notation for 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride?

The canonical SMILES for 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride is Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=NC2c1ccccn1.Cl.

What is the InChIKey of 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride?

The InChIKey is JUCRKJFWYYLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.ClH/c1-12-11-14(24)23-15(13-7-3-4-8-18-13)20-16(21-17(23)19-12)22-9-5-2-6-10-22;/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,19,20,21);1H.

What are the key properties of 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride?

8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-2-piperidin-1-yl-4-pyridin-2-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one;hydrochloride is sourced from PubChem (CID 135907575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).