2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride

C16H23Cl2N5O — CID 119898826

About 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride

2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride (PubChem CID 119898826) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride
• PubChem CID: 119898826
• Molecular Formula: C16H23Cl2N5O
• Molecular Weight: 372.30 g/mol
• Exact Mass: 371.13
• IUPAC Name: 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride
• SMILES: CNCC(C)C(=O)N1CCn2c(nnc2-c2ccccc2)C1.Cl.Cl
• InChI: InChI=1S/C16H21N5O.2ClH/c1-12(10-17-2)16(22)20-8-9-21-14(11-20)18-19-15(21)13-6-4-3-5-7-13;;/h3-7,12,17H,8-11H2,1-2H3;2*1H
• InChIKey: FTWUHIMGWXRECK-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.30
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride?

The IUPAC name of 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride (CID 119898826) is 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride.

What is the SMILES notation for 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride?

The canonical SMILES for 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride is CNCC(C)C(=O)N1CCn2c(nnc2-c2ccccc2)C1.Cl.Cl.

What is the InChIKey of 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride?

The InChIKey is FTWUHIMGWXRECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-12(10-17-2)16(22)20-8-9-21-14(11-20)18-19-15(21)13-6-4-3-5-7-13;;/h3-7,12,17H,8-11H2,1-2H3;2*1H.

What are the key properties of 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride?

2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119898826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).