6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one

C7H13N5O — CID 135929400

IUPAC6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(NN)[nH]c1=O
InChIInChI=1S/C7H13N5O/c1-7(2,3)4-5(13)9-6(10-8)12-11-4/h8H2,1-3H3,(H2,9,10,12,13)
InChIKeyGFGZLUYEAKGXAN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.25
Rot. Bonds1

About 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one

6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one (PubChem CID 135929400) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
PubChem CID135929400
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(NN)[nH]c1=O
InChIInChI=1S/C7H13N5O/c1-7(2,3)4-5(13)9-6(10-8)12-11-4/h8H2,1-3H3,(H2,9,10,12,13)
InChIKeyGFGZLUYEAKGXAN-UHFFFAOYSA-N
XLogP-0.25
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one (CID 135929400) is 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one is CC(C)(C)c1nnc(NN)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
The InChIKey is GFGZLUYEAKGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-7(2,3)4-5(13)9-6(10-8)12-11-4/h8H2,1-3H3,(H2,9,10,12,13).
What are the key properties of 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135929400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).