2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide

C18H30N6O3 — CID 12040478

IUPAC2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCCC)nc(C(=O)NCCCC)n1
InChIInChI=1S/C18H30N6O3/c1-4-7-10-19-16(25)13-22-14(17(26)20-11-8-5-2)24-15(23-13)18(27)21-12-9-6-3/h4-12H2,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyBFFVHMNTXBIBIY-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.46
Rot. Bonds12

About 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide

2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide (PubChem CID 12040478) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide
PubChem CID12040478
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCCCC)nc(C(=O)NCCCC)n1
InChIInChI=1S/C18H30N6O3/c1-4-7-10-19-16(25)13-22-14(17(26)20-11-8-5-2)24-15(23-13)18(27)21-12-9-6-3/h4-12H2,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyBFFVHMNTXBIBIY-UHFFFAOYSA-N
XLogP1.46
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide 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

4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxamide
CID 597626
4-(Dibutylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4260974
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
2-[(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 132312840
4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-2-one
CID 17557132
[1,3,5]Triazine-2-carboxylic acid, 4-ethylamino-6-piperidin-1-yl-, amide
CID 672103
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 35554
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide
CID 54319717
N-butyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 54374561
2-N,4-N,6-N-tris[2-[di(propan-2-yl)amino]ethyl]-1,3,5-triazine-2,4,6-tricarboxamide
CID 59345615

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide?
The IUPAC name of 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide (CID 12040478) is 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide.
What is the SMILES notation for 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide?
The canonical SMILES for 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide is CCCCNC(=O)c1nc(C(=O)NCCCC)nc(C(=O)NCCCC)n1.
What is the InChIKey of 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide?
The InChIKey is BFFVHMNTXBIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-4-7-10-19-16(25)13-22-14(17(26)20-11-8-5-2)24-15(23-13)18(27)21-12-9-6-3/h4-12H2,1-3H3,(H,19,25)(H,20,26)(H,21,27).
What are the key properties of 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide?
2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.46, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tributyl-1,3,5-triazine-2,4,6-tricarboxamide is sourced from PubChem (CID 12040478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).