(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium

C17H18N5+ — CID 123780943

IUPAC(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium
SMILESC[N+](C)(c1ccccc1)c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C17H18N5/c1-22(2,14-11-7-4-8-12-14)17-20-15(19-16(18)21-17)13-9-5-3-6-10-13/h3-12H,1-2H3,(H2,18,19,20,21)/q+1
InChIKeyMMNYMGNEHLNTCK-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.02
Rot. Bonds3

About (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium

(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium (PubChem CID 123780943) has the molecular formula C17H18N5+ and a molecular weight of 292.37 g/mol. Its IUPAC name is (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium.

Molecular Properties

Compound Name(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium
PubChem CID123780943
Molecular FormulaC17H18N5+
Molecular Weight292.37 g/mol
Exact Mass292.16
IUPAC Name(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium
SMILESC[N+](C)(c1ccccc1)c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C17H18N5/c1-22(2,14-11-7-4-8-12-14)17-20-15(19-16(18)21-17)13-9-5-3-6-10-13/h3-12H,1-2H3,(H2,18,19,20,21)/q+1
InChIKeyMMNYMGNEHLNTCK-UHFFFAOYSA-N
XLogP3.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium?
The IUPAC name of (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium (CID 123780943) is (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium.
What is the SMILES notation for (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium?
The canonical SMILES for (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium is C[N+](C)(c1ccccc1)c1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium?
The InChIKey is MMNYMGNEHLNTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N5/c1-22(2,14-11-7-4-8-12-14)17-20-15(19-16(18)21-17)13-9-5-3-6-10-13/h3-12H,1-2H3,(H2,18,19,20,21)/q+1.
What are the key properties of (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium?
(4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium has a molecular weight of 292.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-phenyl-1,3,5-triazin-2-yl)-dimethyl-phenylazanium is sourced from PubChem (CID 123780943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).