N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine

C24H29N9O2 — CID 10227387

About N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine

N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 10227387) has the molecular formula C24H29N9O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine
• PubChem CID: 10227387
• Molecular Formula: C24H29N9O2
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.24
• IUPAC Name: N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine
• SMILES: Cc1cc(-c2nnc3c4ccccc4c(OCc4nnn(C)c4CN(C(C)C)C(C)C)nn23)no1
• InChI: InChI=1S/C24H29N9O2/c1-14(2)32(15(3)4)12-21-20(25-30-31(21)6)13-34-24-18-10-8-7-9-17(18)22-26-27-23(33(22)28-24)19-11-16(5)35-29-19/h7-11,14-15H,12-13H2,1-6H3
• InChIKey: KGCIQJWWPQHMTK-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 112.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine?

The IUPAC name of N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine (CID 10227387) is N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine?

The canonical SMILES for N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine is Cc1cc(-c2nnc3c4ccccc4c(OCc4nnn(C)c4CN(C(C)C)C(C)C)nn23)no1.

What is the InChIKey of N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine?

The InChIKey is KGCIQJWWPQHMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2/c1-14(2)32(15(3)4)12-21-20(25-30-31(21)6)13-34-24-18-10-8-7-9-17(18)22-26-27-23(33(22)28-24)19-11-16(5)35-29-19/h7-11,14-15H,12-13H2,1-6H3.

What are the key properties of N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine?

N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 475.56 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 10227387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).