6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride

C43H62Cl8N22O4 — CID 159191167

About 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride

6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride (PubChem CID 159191167) has the molecular formula C43H62Cl8N22O4 and a molecular weight of 1234.74 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride
• PubChem CID: 159191167
• Molecular Formula: C43H62Cl8N22O4
• Molecular Weight: 1234.74 g/mol
• Exact Mass: 1230.28
• IUPAC Name: 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride
• SMILES: C#CCN.C#CCNc1nc(Cl)nc(NCC#C)n1.C#CCNc1nc(NCC#C)nc(N(C)OC)n1.C#CCNc1nc(NCC#C)nc(N(C)OC)n1.CCOCC.CNOC.Cl.Cl.Cl.Cl.Clc1nc(Cl)nc(Cl)n1
• InChI: InChI=1S/2C11H14N6O.C9H8ClN5.C4H10O.C3Cl3N3.C3H5N.C2H7NO.4ClH/c2*1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4;1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2;1-3-5-4-2;4-1-7-2(5)9-3(6)8-1;1-2-3-4;1-3-4-2;;;;/h2*1-2H,7-8H2,3-4H3,(H2,12,13,14,15,16);1-2H,5-6H2,(H2,11,12,13,14,15);3-4H2,1-2H3;;1H,3-4H2;3H,1-2H3;4*1H
• InChIKey: PKRYSFSTYUZPJK-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 308.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1234.74
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride?

The IUPAC name of 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride (CID 159191167) is 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride.

What is the SMILES notation for 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride?

The canonical SMILES for 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride is C#CCN.C#CCNc1nc(Cl)nc(NCC#C)n1.C#CCNc1nc(NCC#C)nc(N(C)OC)n1.C#CCNc1nc(NCC#C)nc(N(C)OC)n1.CCOCC.CNOC.Cl.Cl.Cl.Cl.Clc1nc(Cl)nc(Cl)n1.

What is the InChIKey of 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride?

The InChIKey is PKRYSFSTYUZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N6O.C9H8ClN5.C4H10O.C3Cl3N3.C3H5N.C2H7NO.4ClH/c2*1-5-7-12-9-14-10(13-8-6-2)16-11(15-9)17(3)18-4;1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2;1-3-5-4-2;4-1-7-2(5)9-3(6)8-1;1-2-3-4;1-3-4-2;;;;/h2*1-2H,7-8H2,3-4H3,(H2,12,13,14,15,16);1-2H,5-6H2,(H2,11,12,13,14,15);3-4H2,1-2H3;;1H,3-4H2;3H,1-2H3;4*1H.

What are the key properties of 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride?

6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride has a molecular weight of 1234.74 g/mol, XLogP of 4.44, 19 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride is sourced from PubChem (CID 159191167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).