2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide

C15H24N6O3 — CID 101226146

IUPAC2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NC)nc(C(=O)NCCCC)n1
InChIInChI=1S/C15H24N6O3/c1-4-6-8-17-14(23)11-19-10(13(22)16-3)20-12(21-11)15(24)18-9-7-5-2/h4-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)
InChIKeyQYQRCTUXMDWQAD-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.29
Rot. Bonds9

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

2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide (PubChem CID 101226146) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide
PubChem CID101226146
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NC)nc(C(=O)NCCCC)n1
InChIInChI=1S/C15H24N6O3/c1-4-6-8-17-14(23)11-19-10(13(22)16-3)20-12(21-11)15(24)18-9-7-5-2/h4-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)
InChIKeyQYQRCTUXMDWQAD-UHFFFAOYSA-N
XLogP0.29
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide?
The IUPAC name of 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide (CID 101226146) is 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide.
What is the SMILES notation for 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide?
The canonical SMILES for 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide is CCCCNC(=O)c1nc(C(=O)NC)nc(C(=O)NCCCC)n1.
What is the InChIKey of 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide?
The InChIKey is QYQRCTUXMDWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-4-6-8-17-14(23)11-19-10(13(22)16-3)20-12(21-11)15(24)18-9-7-5-2/h4-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24).
What are the key properties of 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide?
2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide has a molecular weight of 336.40 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-N-methyl-1,3,5-triazine-2,4,6-tricarboxamide is sourced from PubChem (CID 101226146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).