acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride

C60H67Cl6N20O9P — CID 159100756

About acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride

acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride (PubChem CID 159100756) has the molecular formula C60H67Cl6N20O9P and a molecular weight of 1456.02 g/mol. Its IUPAC name is acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride.

Molecular Properties

• Compound Name: acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride
• PubChem CID: 159100756
• Molecular Formula: C60H67Cl6N20O9P
• Molecular Weight: 1456.02 g/mol
• Exact Mass: 1452.33
• IUPAC Name: acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride
• SMILES: CC(=O)NCc1nccnc1Cl.CC(=O)OC(C)=O.C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1-n1nccn1.Cc1ncc2c(Cl)nccn12.Cc1ncc2c(O[C@@H]3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)C3)nccn12.NCc1nccnc1Cl.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C22H23N7O2.C15H18N4O2.C7H8ClN3O.C7H6ClN3.C5H6ClN3.C4H6O3.Cl3OP/c1-15-7-8-17(31-21-20-13-24-16(2)27(20)12-11-23-21)14-28(15)22(30)18-5-3-4-6-19(18)29-25-9-10-26-29;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;1-5(12)11-4-6-7(8)10-3-2-9-6;1-5-10-4-6-7(8)9-2-3-11(5)6;6-5-4(3-7)8-1-2-9-5;1-3(5)7-4(2)6;1-5(2,3)4/h3-6,9-13,15,17H,7-8,14H2,1-2H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;2-3H,4H2,1H3,(H,11,12);2-4H,1H3;1-2H,3,7H2;1-2H3;/t15-,17-;11-,12-;;;;;/m11...../s1
• InChIKey: KDGAHZDHHNNTBG-GYWABTCBSA-N
• XLogP: 9.90
• TPSA: 359.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1456.02
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride?

The IUPAC name of acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride (CID 159100756) is acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride.

What is the SMILES notation for acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride?

The canonical SMILES for acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride is CC(=O)NCc1nccnc1Cl.CC(=O)OC(C)=O.C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1-n1nccn1.Cc1ncc2c(Cl)nccn12.Cc1ncc2c(O[C@@H]3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)C3)nccn12.NCc1nccnc1Cl.O=P(Cl)(Cl)Cl.

What is the InChIKey of acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride?

The InChIKey is KDGAHZDHHNNTBG-GYWABTCBSA-N. The full InChI is InChI=1S/C22H23N7O2.C15H18N4O2.C7H8ClN3O.C7H6ClN3.C5H6ClN3.C4H6O3.Cl3OP/c1-15-7-8-17(31-21-20-13-24-16(2)27(20)12-11-23-21)14-28(15)22(30)18-5-3-4-6-19(18)29-25-9-10-26-29;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;1-5(12)11-4-6-7(8)10-3-2-9-6;1-5-10-4-6-7(8)9-2-3-11(5)6;6-5-4(3-7)8-1-2-9-5;1-3(5)7-4(2)6;1-5(2,3)4/h3-6,9-13,15,17H,7-8,14H2,1-2H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;2-3H,4H2,1H3,(H,11,12);2-4H,1H3;1-2H,3,7H2;1-2H3;/t15-,17-;11-,12-;;;;;/m11...../s1.

What are the key properties of acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride?

acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride has a molecular weight of 1456.02 g/mol, XLogP of 9.90, 9 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;8-chloro-3-methylimidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]acetamide;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-2-methyl-5-(3-methylimidazo[1,5-a]pyrazin-8-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;phosphoryl trichloride is sourced from PubChem (CID 159100756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).