2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide

C13H21N5O2 — CID 118936452

IUPAC2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ncnc(C(=O)NCCCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-5-7-14-12(19)10-16-9-17-11(18-10)13(20)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyZNXAFVIZBODQSG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.93
Rot. Bonds8

About 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide

2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 118936452) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide
PubChem CID118936452
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ncnc(C(=O)NCCCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-5-7-14-12(19)10-16-9-17-11(18-10)13(20)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyZNXAFVIZBODQSG-UHFFFAOYSA-N
XLogP0.93
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 140726364
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
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
N-butyl-1,3,5-triazine-2-carboxamide
CID 67685815
N-ethyl-1,3,5-triazine-2-carboxamide
CID 69760476
N-propyl-1,3,5-triazine-2-carboxamide
CID 69760590
2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
CID 118936003

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide (CID 118936452) is 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide is CCCCNC(=O)c1ncnc(C(=O)NCCCC)n1.
What is the InChIKey of 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is ZNXAFVIZBODQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-5-7-14-12(19)10-16-9-17-11(18-10)13(20)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,19)(H,15,20).
What are the key properties of 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide?
2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 118936452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).