sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)

C51H89Cl4N19NaO4Y3-3 — CID 161226295

About sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)

sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium) (PubChem CID 161226295) has the molecular formula C51H89Cl4N19NaO4Y3-3 and a molecular weight of 1463.92 g/mol. Its IUPAC name is sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium).

Molecular Properties

• Compound Name: sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)
• PubChem CID: 161226295
• Molecular Formula: C51H89Cl4N19NaO4Y3-3
• Molecular Weight: 1463.92 g/mol
• Exact Mass: 1461.32
• IUPAC Name: sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)
• SMILES: C.CC.CC.CC.CC(N)=O.CN(C)C.CN(C)c1nc(Cl)nc(NC(=O)Nc2ccccc2)n1.CN(C)c1nc(N)nc(Cl)n1.CNC.C[O-].Nc1nc(Cl)nc(Cl)n1.O=C=Nc1ccccc1.[CH3-].[CH3-].[CH3-].[Na+].[Y].[Y].[Y].c1ccccc1
• InChI: InChI=1S/C12H13ClN6O.C7H5NO.C6H6.C5H8ClN5.C3H2Cl2N4.C3H9N.C2H5NO.C2H7N.3C2H6.CH3O.CH4.3CH3.Na.3Y/c1-19(2)11-16-9(13)15-10(17-11)18-12(20)14-8-6-4-3-5-7-8;9-6-8-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-11(2)5-9-3(6)8-4(7)10-5;4-1-7-2(5)9-3(6)8-1;1-4(2)3;1-2(3)4;1-3-2;4*1-2;;;;;;;;/h3-7H,1-2H3,(H2,14,15,16,17,18,20);1-5H;1-6H;1-2H3,(H2,7,8,9,10);(H2,6,7,8,9);1-3H3;1H3,(H2,3,4);3H,1-2H3;3*1-2H3;1H3;1H4;3*1H3;;;;/q;;;;;;;;;;;-1;;3*-1;+1
• InChIKey: ASFSVJKEDMXTMC-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 326.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1463.92
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)?

The IUPAC name of sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium) (CID 161226295) is sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium).

What is the SMILES notation for sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)?

The canonical SMILES for sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium) is C.CC.CC.CC.CC(N)=O.CN(C)C.CN(C)c1nc(Cl)nc(NC(=O)Nc2ccccc2)n1.CN(C)c1nc(N)nc(Cl)n1.CNC.C[O-].Nc1nc(Cl)nc(Cl)n1.O=C=Nc1ccccc1.[CH3-].[CH3-].[CH3-].[Na+].[Y].[Y].[Y].c1ccccc1.

What is the InChIKey of sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)?

The InChIKey is ASFSVJKEDMXTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O.C7H5NO.C6H6.C5H8ClN5.C3H2Cl2N4.C3H9N.C2H5NO.C2H7N.3C2H6.CH3O.CH4.3CH3.Na.3Y/c1-19(2)11-16-9(13)15-10(17-11)18-12(20)14-8-6-4-3-5-7-8;9-6-8-7-4-2-1-3-5-7;1-2-4-6-5-3-1;1-11(2)5-9-3(6)8-4(7)10-5;4-1-7-2(5)9-3(6)8-1;1-4(2)3;1-2(3)4;1-3-2;4*1-2;;;;;;;;/h3-7H,1-2H3,(H2,14,15,16,17,18,20);1-5H;1-6H;1-2H3,(H2,7,8,9,10);(H2,6,7,8,9);1-3H3;1H3,(H2,3,4);3H,1-2H3;3*1-2H3;1H3;1H4;3*1H3;;;;/q;;;;;;;;;;;-1;;3*-1;+1;;;.

What are the key properties of sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium)?

sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium) has a molecular weight of 1463.92 g/mol, XLogP of 7.05, 5 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetamide;benzene;carbanide;1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-phenylurea;6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-1,3,5-triazin-2-amine;N,N-dimethylmethanamine;ethane;isocyanatobenzene;methane;methanolate;N-methylmethanamine;tris(yttrium) is sourced from PubChem (CID 161226295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).