triazin-4-ylhydrazine

C3H5N5 — CID 22352238

IUPACtriazin-4-ylhydrazine
SMILESNNc1ccnnn1
InChIInChI=1S/C3H5N5/c4-6-3-1-2-5-8-7-3/h1-2H,4H2,(H,5,6,7)
InChIKeyLOZOGGLFSJGOHI-UHFFFAOYSA-N
MW111.11 g/mol
LogP-0.84
Rot. Bonds1

About triazin-4-ylhydrazine

triazin-4-ylhydrazine (PubChem CID 22352238) has the molecular formula C3H5N5 and a molecular weight of 111.11 g/mol. Its IUPAC name is triazin-4-ylhydrazine.

Molecular Properties

Compound Nametriazin-4-ylhydrazine
PubChem CID22352238
Molecular FormulaC3H5N5
Molecular Weight111.11 g/mol
Exact Mass111.05
IUPAC Nametriazin-4-ylhydrazine
SMILESNNc1ccnnn1
InChIInChI=1S/C3H5N5/c4-6-3-1-2-5-8-7-3/h1-2H,4H2,(H,5,6,7)
InChIKeyLOZOGGLFSJGOHI-UHFFFAOYSA-N
XLogP-0.84
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.11
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
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 triazin-4-ylhydrazine?
The IUPAC name of triazin-4-ylhydrazine (CID 22352238) is triazin-4-ylhydrazine.
What is the SMILES notation for triazin-4-ylhydrazine?
The canonical SMILES for triazin-4-ylhydrazine is NNc1ccnnn1.
What is the InChIKey of triazin-4-ylhydrazine?
The InChIKey is LOZOGGLFSJGOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5/c4-6-3-1-2-5-8-7-3/h1-2H,4H2,(H,5,6,7).
What are the key properties of triazin-4-ylhydrazine?
triazin-4-ylhydrazine has a molecular weight of 111.11 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazin-4-ylhydrazine is sourced from PubChem (CID 22352238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).