1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone

C17H17N5O — CID 72844137

About 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone

1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 72844137) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

• Compound Name: 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
• PubChem CID: 72844137
• Molecular Formula: C17H17N5O
• Molecular Weight: 307.36 g/mol
• Exact Mass: 307.14
• IUPAC Name: 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2Cc3ccccc3C2)nc2ncnn12
• InChI: InChI=1S/C17H17N5O/c1-11(2)15-7-14(20-17-18-10-19-22(15)17)16(23)21-8-12-5-3-4-6-13(12)9-21/h3-7,10-11H,8-9H2,1-2H3
• InChIKey: AEUZJCOAILDNSI-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.36
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?

The IUPAC name of 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (CID 72844137) is 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.

What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?

The canonical SMILES for 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)nc2ncnn12.

What is the InChIKey of 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?

The InChIKey is AEUZJCOAILDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11(2)15-7-14(20-17-18-10-19-22(15)17)16(23)21-8-12-5-3-4-6-13(12)9-21/h3-7,10-11H,8-9H2,1-2H3.

What are the key properties of 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?

1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 72844137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).