5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine

C45H45Cl5F4N14O10 — CID 158073158

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine (PubChem CID 158073158) has the molecular formula C45H45Cl5F4N14O10 and a molecular weight of 1195.20 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine
• PubChem CID: 158073158
• Molecular Formula: C45H45Cl5F4N14O10
• Molecular Weight: 1195.20 g/mol
• Exact Mass: 1192.18
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine
• SMILES: CN1CCOCC1.COc1nc(Cl)nc(OC)n1.Cc1cc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n(C)n1.Cc1cc(C(=O)O)n(C)n1.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C17H12ClF2N5O3.C11H6ClF2N3O2.C6H8N2O2.C5H6ClN3O2.C5H11NO.CH2Cl2/c1-8-3-12(25(2)24-8)16(26)23-15-7-21-11(6-22-15)9-4-13-14(5-10(9)18)28-17(19,20)27-13;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-4-3-5(6(9)10)8(2)7-4;1-10-4-7-3(6)8-5(9-4)11-2;1-6-2-4-7-5-3-6;2-1-3/h3-7H,1-2H3,(H,22,23,26);1-4H,(H2,15,17);3H,1-2H3,(H,9,10);1-2H3;2-5H2,1H3;1H2
• InChIKey: FMAZWFAKVHUUBA-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 286.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1195.20
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine (CID 158073158) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine is CN1CCOCC1.COc1nc(Cl)nc(OC)n1.Cc1cc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n(C)n1.Cc1cc(C(=O)O)n(C)n1.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

The InChIKey is FMAZWFAKVHUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N5O3.C11H6ClF2N3O2.C6H8N2O2.C5H6ClN3O2.C5H11NO.CH2Cl2/c1-8-3-12(25(2)24-8)16(26)23-15-7-21-11(6-22-15)9-4-13-14(5-10(9)18)28-17(19,20)27-13;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-4-3-5(6(9)10)8(2)7-4;1-10-4-7-3(6)8-5(9-4)11-2;1-6-2-4-7-5-3-6;2-1-3/h3-7H,1-2H3,(H,22,23,26);1-4H,(H2,15,17);3H,1-2H3,(H,9,10);1-2H3;2-5H2,1H3;1H2.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine has a molecular weight of 1195.20 g/mol, XLogP of 8.45, 7 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 158073158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).