5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C16H19N5O2 — CID 142324796

About 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142324796) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 142324796
• Molecular Formula: C16H19N5O2
• Molecular Weight: 313.36 g/mol
• Exact Mass: 313.15
• IUPAC Name: 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• SMILES: CC(C)c1c(-c2cncc(C(C)(C)O)c2)nc2nc[nH]n2c1=O
• InChI: InChI=1S/C16H19N5O2/c1-9(2)12-13(20-15-18-8-19-21(15)14(12)22)10-5-11(7-17-6-10)16(3,4)23/h5-9,23H,1-4H3,(H,18,19,20)
• InChIKey: PNEKMMBIJSESSD-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.36
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142324796) is 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cncc(C(C)(C)O)c2)nc2nc[nH]n2c1=O.

What is the InChIKey of 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The InChIKey is PNEKMMBIJSESSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9(2)12-13(20-15-18-8-19-21(15)14(12)22)10-5-11(7-17-6-10)16(3,4)23/h5-9,23H,1-4H3,(H,18,19,20).

What are the key properties of 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 313.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142324796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).