2-butyl-4,6-di(nonyl)-1,3,5-triazine

C25H47N3 — CID 91505211

IUPAC2-butyl-4,6-di(nonyl)-1,3,5-triazine
SMILESCCCCCCCCCc1nc(CCCC)nc(CCCCCCCCC)n1
InChIInChI=1S/C25H47N3/c1-4-7-10-12-14-16-18-21-24-26-23(20-9-6-3)27-25(28-24)22-19-17-15-13-11-8-5-2/h4-22H2,1-3H3
InChIKeyONSQSUOQEPHDNV-UHFFFAOYSA-N
MW389.67 g/mol
LogP7.80
Rot. Bonds19

About 2-butyl-4,6-di(nonyl)-1,3,5-triazine

2-butyl-4,6-di(nonyl)-1,3,5-triazine (PubChem CID 91505211) has the molecular formula C25H47N3 and a molecular weight of 389.67 g/mol. Its IUPAC name is 2-butyl-4,6-di(nonyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-butyl-4,6-di(nonyl)-1,3,5-triazine
PubChem CID91505211
Molecular FormulaC25H47N3
Molecular Weight389.67 g/mol
Exact Mass389.38
IUPAC Name2-butyl-4,6-di(nonyl)-1,3,5-triazine
SMILESCCCCCCCCCc1nc(CCCC)nc(CCCCCCCCC)n1
InChIInChI=1S/C25H47N3/c1-4-7-10-12-14-16-18-21-24-26-23(20-9-6-3)27-25(28-24)22-19-17-15-13-11-8-5-2/h4-22H2,1-3H3
InChIKeyONSQSUOQEPHDNV-UHFFFAOYSA-N
XLogP7.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-4,6-di(nonyl)-1,3,5-triazine 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

2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
2-butyl-4,6-dihexylpyrimidine
CID 91010912
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2,4-dimethoxy-6-octyl-1,3,5-triazine
CID 140898891
6-butyl-1,3,5-triazine-2,4-diamine
CID 18602

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-di(nonyl)-1,3,5-triazine?
The IUPAC name of 2-butyl-4,6-di(nonyl)-1,3,5-triazine (CID 91505211) is 2-butyl-4,6-di(nonyl)-1,3,5-triazine.
What is the SMILES notation for 2-butyl-4,6-di(nonyl)-1,3,5-triazine?
The canonical SMILES for 2-butyl-4,6-di(nonyl)-1,3,5-triazine is CCCCCCCCCc1nc(CCCC)nc(CCCCCCCCC)n1.
What is the InChIKey of 2-butyl-4,6-di(nonyl)-1,3,5-triazine?
The InChIKey is ONSQSUOQEPHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N3/c1-4-7-10-12-14-16-18-21-24-26-23(20-9-6-3)27-25(28-24)22-19-17-15-13-11-8-5-2/h4-22H2,1-3H3.
What are the key properties of 2-butyl-4,6-di(nonyl)-1,3,5-triazine?
2-butyl-4,6-di(nonyl)-1,3,5-triazine has a molecular weight of 389.67 g/mol, XLogP of 7.80, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-di(nonyl)-1,3,5-triazine is sourced from PubChem (CID 91505211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).