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

C9H19ClN6 — CID 27305

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride
SMILESCN(C)c1nc(N(C)C)nc([NH+](C)C)n1.[Cl-]
InChIInChI=1S/C9H18N6.ClH/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;/h1-6H3;1H
InChIKeyAKAQBNIEQUSIJL-UHFFFAOYSA-N
MW246.75 g/mol
LogP-4.22
Rot. Bonds3

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride (PubChem CID 27305) has the molecular formula C9H19ClN6 and a molecular weight of 246.75 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride
PubChem CID27305
Molecular FormulaC9H19ClN6
Molecular Weight246.75 g/mol
Exact Mass246.14
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride
SMILESCN(C)c1nc(N(C)C)nc([NH+](C)C)n1.[Cl-]
InChIInChI=1S/C9H18N6.ClH/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;/h1-6H3;1H
InChIKeyAKAQBNIEQUSIJL-UHFFFAOYSA-N
XLogP-4.22
TPSA49.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.75
LogP ≤ 5-4.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride (CID 27305) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride is CN(C)c1nc(N(C)C)nc([NH+](C)C)n1.[Cl-].
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride?
The InChIKey is AKAQBNIEQUSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6.ClH/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6;/h1-6H3;1H.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-dimethylazanium chloride has a molecular weight of 246.75 g/mol, XLogP of -4.22, 3 rotatable bonds, 1 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]-dimethylazanium chloride is sourced from PubChem (CID 27305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).