6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride

C66H118Cl9N34O7PS2 — CID 158799628

About 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride

6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride (PubChem CID 158799628) has the molecular formula C66H118Cl9N34O7PS2 and a molecular weight of 1914.09 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride
• PubChem CID: 158799628
• Molecular Formula: C66H118Cl9N34O7PS2
• Molecular Weight: 1914.09 g/mol
• Exact Mass: 1908.63
• IUPAC Name: 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride
• SMILES: C.C#CCN.C#CCNc1nc(Cl)nc(NCCC)n1.C#CCNc1nc(NCCC)nc(N(C)OC)n1.C#CC[NH3+].C#CC[NH3+].C=C(Cl)CNc1nc(NCCC)nc(N(C)OC)n1.CC.CCCN.CCCNc1nc(Cl)nc(Cl)n1.CCCNc1nc(Cl)nc(NCCC)n1.CNOC.Cl.Clc1nc(Cl)nc(Cl)n1.O=S(=O)([O-])[O-].P=S
• InChI: InChI=1S/C11H19ClN6O.C11H18N6O.C9H16ClN5.C9H12ClN5.C6H8Cl2N4.C3Cl3N3.C3H9N.3C3H5N.C2H7NO.C2H6.CH4.ClH.H2O4S.HPS/c1-5-6-13-9-15-10(14-7-8(2)12)17-11(16-9)18(3)19-4;1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4;2*1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2;1-2-3-9-6-11-4(7)10-5(8)12-6;4-1-7-2(5)9-3(6)8-1;4*1-2-3-4;1-3-4-2;1-2;;;1-5(2,3)4;1-2/h2,5-7H2,1,3-4H3,(H2,13,14,15,16,17);1H,6-8H2,2-4H3,(H2,12,13,14,15,16);3-6H2,1-2H3,(H2,11,12,13,14,15);1H,4-6H2,2H3,(H2,11,12,13,14,15);2-3H2,1H3,(H,9,10,11,12);;2-4H2,1H3;3*1H,3-4H2;3H,1-2H3;1-2H3;1H4;1H;(H2,1,2,3,4);1H
• InChIKey: DLZGMPPEKKDWCI-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 574.07 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.09
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride?

The IUPAC name of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride (CID 158799628) is 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride.

What is the SMILES notation for 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride?

The canonical SMILES for 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride is C.C#CCN.C#CCNc1nc(Cl)nc(NCCC)n1.C#CCNc1nc(NCCC)nc(N(C)OC)n1.C#CC[NH3+].C#CC[NH3+].C=C(Cl)CNc1nc(NCCC)nc(N(C)OC)n1.CC.CCCN.CCCNc1nc(Cl)nc(Cl)n1.CCCNc1nc(Cl)nc(NCCC)n1.CNOC.Cl.Clc1nc(Cl)nc(Cl)n1.O=S(=O)([O-])[O-].P=S.

What is the InChIKey of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride?

The InChIKey is DLZGMPPEKKDWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O.C11H18N6O.C9H16ClN5.C9H12ClN5.C6H8Cl2N4.C3Cl3N3.C3H9N.3C3H5N.C2H7NO.C2H6.CH4.ClH.H2O4S.HPS/c1-5-6-13-9-15-10(14-7-8(2)12)17-11(16-9)18(3)19-4;1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4;2*1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2;1-2-3-9-6-11-4(7)10-5(8)12-6;4-1-7-2(5)9-3(6)8-1;4*1-2-3-4;1-3-4-2;1-2;;;1-5(2,3)4;1-2/h2,5-7H2,1,3-4H3,(H2,13,14,15,16,17);1H,6-8H2,2-4H3,(H2,12,13,14,15,16);3-6H2,1-2H3,(H2,11,12,13,14,15);1H,4-6H2,2H3,(H2,11,12,13,14,15);2-3H2,1H3,(H,9,10,11,12);;2-4H2,1H3;3*1H,3-4H2;3H,1-2H3;1-2H3;1H4;1H;(H2,1,2,3,4);1H.

What are the key properties of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride?

6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride has a molecular weight of 1914.09 g/mol, XLogP of 8.75, 31 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine;4-N-(2-chloroprop-2-enyl)-2-N-methoxy-2-N-methyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-propyl-1,3,5-triazin-2-amine;ethane;methane;N-methoxymethanamine;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;propan-1-amine;prop-2-yn-1-amine;bis(prop-2-ynylazanium);sulfanylidenephosphane;2,4,6-trichloro-1,3,5-triazine;sulfate;hydrochloride is sourced from PubChem (CID 158799628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).