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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine

C43H37Cl5F8N14O10 — CID 159412109

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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine (PubChem CID 159412109) has the molecular formula C43H37Cl5F8N14O10 and a molecular weight of 1239.11 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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine
• PubChem CID: 159412109
• Molecular Formula: C43H37Cl5F8N14O10
• Molecular Weight: 1239.11 g/mol
• Exact Mass: 1236.11
• 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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine
• SMILES: CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccnn1C(F)F.O=C(O)c1ccnn1C(F)F
• InChI: InChI=1S/C16H8ClF4N5O3.C11H6ClF2N3O2.C5H6ClN3O2.C5H4F2N2O2.C5H11NO.CH2Cl2/c17-8-4-12-11(28-16(20,21)29-12)3-7(8)9-5-23-13(6-22-9)25-14(27)10-1-2-24-26(10)15(18)19;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-10-4-7-3(6)8-5(9-4)11-2;6-5(7)9-3(4(10)11)1-2-8-9;1-6-2-4-7-5-3-6;2-1-3/h1-6,15H,(H,23,25,27);1-4H,(H2,15,17);1-2H3;1-2,5H,(H,10,11);2-5H2,1H3;1H2
• InChIKey: LORWNHHCSZGHKE-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 286.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.11
LogP ≤ 5	9.55
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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine (CID 159412109) 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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine is CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccnn1C(F)F.O=C(O)c1ccnn1C(F)F.

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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine?

The InChIKey is LORWNHHCSZGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF4N5O3.C11H6ClF2N3O2.C5H6ClN3O2.C5H4F2N2O2.C5H11NO.CH2Cl2/c17-8-4-12-11(28-16(20,21)29-12)3-7(8)9-5-23-13(6-22-9)25-14(27)10-1-2-24-26(10)15(18)19;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-10-4-7-3(6)8-5(9-4)11-2;6-5(7)9-3(4(10)11)1-2-8-9;1-6-2-4-7-5-3-6;2-1-3/h1-6,15H,(H,23,25,27);1-4H,(H2,15,17);1-2H3;1-2,5H,(H,10,11);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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine has a molecular weight of 1239.11 g/mol, XLogP of 9.55, 9 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-(difluoromethyl)pyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2-(difluoromethyl)pyrazole-3-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 159412109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).