N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C19H19N5O4 — CID 131916690

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 131916690) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 131916690
• Molecular Formula: C19H19N5O4
• Molecular Weight: 381.39 g/mol
• Exact Mass: 381.14
• IUPAC Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: CC(=O)c1cc2c(cc1NC(=O)c1cc(C(C)C)n3ncnc3n1)OCCO2
• InChI: InChI=1S/C19H19N5O4/c1-10(2)15-7-14(23-19-20-9-21-24(15)19)18(26)22-13-8-17-16(27-4-5-28-17)6-12(13)11(3)25/h6-10H,4-5H2,1-3H3,(H,22,26)
• InChIKey: VACJWSNYXGJBJQ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.39
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 131916690) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1cc(C(C)C)n3ncnc3n1)OCCO2.

What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is VACJWSNYXGJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-10(2)15-7-14(23-19-20-9-21-24(15)19)18(26)22-13-8-17-16(27-4-5-28-17)6-12(13)11(3)25/h6-10H,4-5H2,1-3H3,(H,22,26).

What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 131916690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).