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

C8H17ClN6 — CID 27776

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride
SMILESC[NH2+]c1nc(N(C)C)nc(N(C)C)n1.[Cl-]
InChIInChI=1S/C8H16N6.ClH/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5;/h1-5H3,(H,9,10,11,12);1H
InChIKeyGTXYDUGJWZBXOI-UHFFFAOYSA-N
MW232.72 g/mol
LogP-4.17
Rot. Bonds3

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride (PubChem CID 27776) has the molecular formula C8H17ClN6 and a molecular weight of 232.72 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride
PubChem CID27776
Molecular FormulaC8H17ClN6
Molecular Weight232.72 g/mol
Exact Mass232.12
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride
SMILESC[NH2+]c1nc(N(C)C)nc(N(C)C)n1.[Cl-]
InChIInChI=1S/C8H16N6.ClH/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5;/h1-5H3,(H,9,10,11,12);1H
InChIKeyGTXYDUGJWZBXOI-UHFFFAOYSA-N
XLogP-4.17
TPSA61.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 5-4.17
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]-methylazanium chloride?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride (CID 27776) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride is C[NH2+]c1nc(N(C)C)nc(N(C)C)n1.[Cl-].
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride?
The InChIKey is GTXYDUGJWZBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6.ClH/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5;/h1-5H3,(H,9,10,11,12);1H.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylazanium chloride has a molecular weight of 232.72 g/mol, XLogP of -4.17, 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]-methylazanium chloride is sourced from PubChem (CID 27776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).