6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide

C7H9N7O3 — CID 145303570

IUPAC6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide
SMILESCC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1
InChIInChI=1S/C7H9N7O3/c1-2(15)3-10-4(6(16)13-8)12-5(11-3)7(17)14-9/h8-9H2,1H3,(H,13,16)(H,14,17)
InChIKeyKTAMDCQPLYMUKH-UHFFFAOYSA-N
MW239.19 g/mol
LogP-2.72
Rot. Bonds3

About 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide

6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide (PubChem CID 145303570) has the molecular formula C7H9N7O3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide.

Molecular Properties

Compound Name6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide
PubChem CID145303570
Molecular FormulaC7H9N7O3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide
SMILESCC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1
InChIInChI=1S/C7H9N7O3/c1-2(15)3-10-4(6(16)13-8)12-5(11-3)7(17)14-9/h8-9H2,1H3,(H,13,16)(H,14,17)
InChIKeyKTAMDCQPLYMUKH-UHFFFAOYSA-N
XLogP-2.72
TPSA165.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-2.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide?
The IUPAC name of 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide (CID 145303570) is 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide.
What is the SMILES notation for 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide?
The canonical SMILES for 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide is CC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1.
What is the InChIKey of 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide?
The InChIKey is KTAMDCQPLYMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O3/c1-2(15)3-10-4(6(16)13-8)12-5(11-3)7(17)14-9/h8-9H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide?
6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide has a molecular weight of 239.19 g/mol, XLogP of -2.72, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,3,5-triazine-2,4-dicarbohydrazide is sourced from PubChem (CID 145303570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).