1,3,5-triazine-2,4,6-tricarbohydrazide

C6H9N9O3 — CID 68618307

IUPAC1,3,5-triazine-2,4,6-tricarbohydrazide
SMILESNNC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1
InChIInChI=1S/C6H9N9O3/c7-13-4(16)1-10-2(5(17)14-8)12-3(11-1)6(18)15-9/h7-9H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyZOKUPEKUNCGMBD-UHFFFAOYSA-N
MW255.20 g/mol
LogP-4.32
Rot. Bonds3

About 1,3,5-triazine-2,4,6-tricarbohydrazide

1,3,5-triazine-2,4,6-tricarbohydrazide (PubChem CID 68618307) has the molecular formula C6H9N9O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-tricarbohydrazide.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-tricarbohydrazide
PubChem CID68618307
Molecular FormulaC6H9N9O3
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name1,3,5-triazine-2,4,6-tricarbohydrazide
SMILESNNC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1
InChIInChI=1S/C6H9N9O3/c7-13-4(16)1-10-2(5(17)14-8)12-3(11-1)6(18)15-9/h7-9H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyZOKUPEKUNCGMBD-UHFFFAOYSA-N
XLogP-4.32
TPSA204.03 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.20
LogP ≤ 5-4.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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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Related Compounds

4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbohydrazide
CID 602539
4,6-Diamino-1,3,5-triazine-2-carbohydrazide
CID 146317078
4-Amino-6-ethoxy-1,3,5-triazine-2-carbohydrazide
CID 588381
1,3,5-Triazine-2,4,6-tricarboxamide
CID 31854
6-Amino-1,3,5-triazine-2,4-dicarboxamide
CID 67444323
6-Acetyl-1,3,5-triazine-2,4-dicarbohydrazide
CID 145303570
4,6-Dihydrazinyl-1,3,5-triazine-2-carbohydrazide
CID 178071062

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4,6-tricarbohydrazide?
The IUPAC name of 1,3,5-triazine-2,4,6-tricarbohydrazide (CID 68618307) is 1,3,5-triazine-2,4,6-tricarbohydrazide.
What is the SMILES notation for 1,3,5-triazine-2,4,6-tricarbohydrazide?
The canonical SMILES for 1,3,5-triazine-2,4,6-tricarbohydrazide is NNC(=O)c1nc(C(=O)NN)nc(C(=O)NN)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-tricarbohydrazide?
The InChIKey is ZOKUPEKUNCGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N9O3/c7-13-4(16)1-10-2(5(17)14-8)12-3(11-1)6(18)15-9/h7-9H2,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 1,3,5-triazine-2,4,6-tricarbohydrazide?
1,3,5-triazine-2,4,6-tricarbohydrazide has a molecular weight of 255.20 g/mol, XLogP of -4.32, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-tricarbohydrazide is sourced from PubChem (CID 68618307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).