[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride

C10H21ClN6 — CID 10901382

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride
SMILESCN(C)c1nc(N(C)C)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C10H21N6.ClH/c1-14(2)8-11-9(15(3)4)13-10(12-8)16(5,6)7;/h1-7H3;1H/q+1;/p-1
InChIKeyGNGLREBSHXMDAQ-UHFFFAOYSA-M
MW260.77 g/mol
LogP-2.80
Rot. Bonds3

About [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride (PubChem CID 10901382) has the molecular formula C10H21ClN6 and a molecular weight of 260.77 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride
PubChem CID10901382
Molecular FormulaC10H21ClN6
Molecular Weight260.77 g/mol
Exact Mass260.15
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride
SMILESCN(C)c1nc(N(C)C)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C10H21N6.ClH/c1-14(2)8-11-9(15(3)4)13-10(12-8)16(5,6)7;/h1-7H3;1H/q+1;/p-1
InChIKeyGNGLREBSHXMDAQ-UHFFFAOYSA-M
XLogP-2.80
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride (CID 10901382) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride is CN(C)c1nc(N(C)C)nc([N+](C)(C)C)n1.[Cl-].
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride?
The InChIKey is GNGLREBSHXMDAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N6.ClH/c1-14(2)8-11-9(15(3)4)13-10(12-8)16(5,6)7;/h1-7H3;1H/q+1;/p-1.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride has a molecular weight of 260.77 g/mol, XLogP of -2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-trimethylazanium chloride is sourced from PubChem (CID 10901382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).