3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine

C19H25N4+ — CID 2036482

IUPAC3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine
SMILESCCCCN1CNC(Nc2ccccc2)=[N+](c2ccccc2)C1
InChIInChI=1S/C19H24N4/c1-2-3-14-22-15-20-19(21-17-10-6-4-7-11-17)23(16-22)18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,20,21)/p+1
InChIKeyVFRQHWYAQVSUFU-UHFFFAOYSA-O
MW309.44 g/mol
LogP3.42
Rot. Bonds5

About 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine

3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine (PubChem CID 2036482) has the molecular formula C19H25N4+ and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine.

Molecular Properties

Compound Name3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine
PubChem CID2036482
Molecular FormulaC19H25N4+
Molecular Weight309.44 g/mol
Exact Mass309.21
IUPAC Name3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine
SMILESCCCCN1CNC(Nc2ccccc2)=[N+](c2ccccc2)C1
InChIInChI=1S/C19H24N4/c1-2-3-14-22-15-20-19(21-17-10-6-4-7-11-17)23(16-22)18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,20,21)/p+1
InChIKeyVFRQHWYAQVSUFU-UHFFFAOYSA-O
XLogP3.42
TPSA30.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentyl-N-phenylpiperazin-1-amine
CID 70080932
6-methyl-N,3-diphenyl-2,2-dipropyl-1,5-diaza-3-azonia-2-boranuidacyclohexa-3,6-dien-4-amine
CID 3748170
N,2,4-triphenyl-1,3-dihydro-1,2,4-triazole-1,4-diium-5-amine
CID 170843022
3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
CID 5150405
1-benzyl-4-butylpiperazine;ethane
CID 90954358
octan-1-amine;N-phenylaniline
CID 68728866
1-octyl-N-phenylimidazol-2-amine
CID 106578848
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
1-benzyl-6-butyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2073680
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
1-benzhydryl-4-butylpiperazine
CID 13416419
5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
CID 102540517

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine?
The IUPAC name of 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine (CID 2036482) is 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine.
What is the SMILES notation for 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine?
The canonical SMILES for 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine is CCCCN1CNC(Nc2ccccc2)=[N+](c2ccccc2)C1.
What is the InChIKey of 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine?
The InChIKey is VFRQHWYAQVSUFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4/c1-2-3-14-22-15-20-19(21-17-10-6-4-7-11-17)23(16-22)18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,20,21)/p+1.
What are the key properties of 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine?
3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine has a molecular weight of 309.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N,5-diphenyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine is sourced from PubChem (CID 2036482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).