1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine

C15H33N9 — CID 23344775

IUPAC1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine
SMILESCC(C)(C)NNc1nc(NNC(C)(C)C)nc(NNC(C)(C)C)n1
InChIInChI=1S/C15H33N9/c1-13(2,3)22-19-10-16-11(20-23-14(4,5)6)18-12(17-10)21-24-15(7,8)9/h22-24H,1-9H3,(H3,16,17,18,19,20,21)
InChIKeyVSKYITBFGWCRQJ-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.02
Rot. Bonds6

About 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine

1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine (PubChem CID 23344775) has the molecular formula C15H33N9 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine.

Molecular Properties

Compound Name1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine
PubChem CID23344775
Molecular FormulaC15H33N9
Molecular Weight339.49 g/mol
Exact Mass339.29
IUPAC Name1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine
SMILESCC(C)(C)NNc1nc(NNC(C)(C)C)nc(NNC(C)(C)C)n1
InChIInChI=1S/C15H33N9/c1-13(2,3)22-19-10-16-11(20-23-14(4,5)6)18-12(17-10)21-24-15(7,8)9/h22-24H,1-9H3,(H3,16,17,18,19,20,21)
InChIKeyVSKYITBFGWCRQJ-UHFFFAOYSA-N
XLogP2.02
TPSA110.85 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 52.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine?
The IUPAC name of 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine (CID 23344775) is 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine.
What is the SMILES notation for 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine?
The canonical SMILES for 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine is CC(C)(C)NNc1nc(NNC(C)(C)C)nc(NNC(C)(C)C)n1.
What is the InChIKey of 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine?
The InChIKey is VSKYITBFGWCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N9/c1-13(2,3)22-19-10-16-11(20-23-14(4,5)6)18-12(17-10)21-24-15(7,8)9/h22-24H,1-9H3,(H3,16,17,18,19,20,21).
What are the key properties of 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine?
1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine has a molecular weight of 339.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(2-tert-butylhydrazinyl)-1,3,5-triazin-2-yl]-2-tert-butylhydrazine is sourced from PubChem (CID 23344775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).