4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine

C13H14N5+ — CID 23371648

IUPAC4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine
SMILESCNc1nc[n+](C)c(-n2ccc3ccccc32)n1
InChIInChI=1S/C13H13N5/c1-14-12-15-9-17(2)13(16-12)18-8-7-10-5-3-4-6-11(10)18/h3-9H,1-2H3/p+1
InChIKeyMNWADYOKWXZNOY-UHFFFAOYSA-O
MW240.29 g/mol
LogP1.29
Rot. Bonds2

About 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine

4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine (PubChem CID 23371648) has the molecular formula C13H14N5+ and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine.

Molecular Properties

Compound Name4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine
PubChem CID23371648
Molecular FormulaC13H14N5+
Molecular Weight240.29 g/mol
Exact Mass240.12
IUPAC Name4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine
SMILESCNc1nc[n+](C)c(-n2ccc3ccccc32)n1
InChIInChI=1S/C13H13N5/c1-14-12-15-9-17(2)13(16-12)18-8-7-10-5-3-4-6-11(10)18/h3-9H,1-2H3/p+1
InChIKeyMNWADYOKWXZNOY-UHFFFAOYSA-O
XLogP1.29
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-indol-1-yl-N-methylaniline
CID 162411052
4-indol-1-yl-N,6-dimethylpyridin-2-amine
CID 19029060
2-indol-1-yl-5-methyl-1,3-thiazole
CID 86087512
1-(4-indol-1-ylpyrimidin-1-ium-1-yl)propan-2-amine iodide
CID 172687574
1-(1H-1,2,4-triazol-5-yl)indole
CID 167408371
N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 175930259
1-pyrazin-2-ylindole
CID 58898193
ethane;1-methylindole;N-methylmethanamine
CID 54113940
1-(furan-2-yl)indole
CID 70543237
1-(6-methoxy-3-pyridinyl)indole
CID 91806975
4-(indol-1-ylmethyl)-N-methylpyridin-2-amine
CID 141153764
1-(2-chloro-4-fluorophenyl)indole
CID 139914970

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine?
The IUPAC name of 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine (CID 23371648) is 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine.
What is the SMILES notation for 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine?
The canonical SMILES for 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine is CNc1nc[n+](C)c(-n2ccc3ccccc32)n1.
What is the InChIKey of 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine?
The InChIKey is MNWADYOKWXZNOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N5/c1-14-12-15-9-17(2)13(16-12)18-8-7-10-5-3-4-6-11(10)18/h3-9H,1-2H3/p+1.
What are the key properties of 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine?
4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine has a molecular weight of 240.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-N,5-dimethyl-1,3,5-triazin-5-ium-2-amine is sourced from PubChem (CID 23371648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).