3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile

C19H24N10 — CID 167341970

About 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile

3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile (PubChem CID 167341970) has the molecular formula C19H24N10 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
• PubChem CID: 167341970
• Molecular Formula: C19H24N10
• Molecular Weight: 392.47 g/mol
• Exact Mass: 392.22
• IUPAC Name: 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
• SMILES: Cc1cc(Nc2nc(NC3CC4CC[C@@H](C3)N4CCC#N)cn3ncnc23)n[nH]1
• InChI: InChI=1S/C19H24N10/c1-12-7-16(27-26-12)24-18-19-21-11-22-29(19)10-17(25-18)23-13-8-14-3-4-15(9-13)28(14)6-2-5-20/h7,10-11,13-15,23H,2-4,6,8-9H2,1H3,(H2,24,25,26,27)/t13?,14-,15?/m0/s1
• InChIKey: QTQQAKMGHOTDLJ-SLTAFYQDSA-N
• XLogP: 2.22
• TPSA: 122.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.47
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?

The IUPAC name of 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile (CID 167341970) is 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile.

What is the SMILES notation for 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?

The canonical SMILES for 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile is Cc1cc(Nc2nc(NC3CC4CC[C@@H](C3)N4CCC#N)cn3ncnc23)n[nH]1.

What is the InChIKey of 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?

The InChIKey is QTQQAKMGHOTDLJ-SLTAFYQDSA-N. The full InChI is InChI=1S/C19H24N10/c1-12-7-16(27-26-12)24-18-19-21-11-22-29(19)10-17(25-18)23-13-8-14-3-4-15(9-13)28(14)6-2-5-20/h7,10-11,13-15,23H,2-4,6,8-9H2,1H3,(H2,24,25,26,27)/t13?,14-,15?/m0/s1.

What are the key properties of 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile?

3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile has a molecular weight of 392.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5S)-3-[[8-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile is sourced from PubChem (CID 167341970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).