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

C15H23N5O3 — CID 59153884

IUPAC6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1nnc(C(C)=O)c(C(=O)NCCCC)n1
InChIInChI=1S/C15H23N5O3/c1-4-6-8-16-14(22)12-11(10(3)21)19-20-13(18-12)15(23)17-9-7-5-2/h4-9H2,1-3H3,(H,16,22)(H,17,23)
InChIKeySGORNOHJOMWHIV-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.13
Rot. Bonds9

About 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide

6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide (PubChem CID 59153884) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide.

Molecular Properties

Compound Name6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide
PubChem CID59153884
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1nnc(C(C)=O)c(C(=O)NCCCC)n1
InChIInChI=1S/C15H23N5O3/c1-4-6-8-16-14(22)12-11(10(3)21)19-20-13(18-12)15(23)17-9-7-5-2/h4-9H2,1-3H3,(H,16,22)(H,17,23)
InChIKeySGORNOHJOMWHIV-UHFFFAOYSA-N
XLogP1.13
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
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 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide?
The IUPAC name of 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide (CID 59153884) is 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide.
What is the SMILES notation for 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide?
The canonical SMILES for 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide is CCCCNC(=O)c1nnc(C(C)=O)c(C(=O)NCCCC)n1.
What is the InChIKey of 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide?
The InChIKey is SGORNOHJOMWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-4-6-8-16-14(22)12-11(10(3)21)19-20-13(18-12)15(23)17-9-7-5-2/h4-9H2,1-3H3,(H,16,22)(H,17,23).
What are the key properties of 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide?
6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-N,5-N-dibutyl-1,2,4-triazine-3,5-dicarboxamide is sourced from PubChem (CID 59153884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).