2H-triazol-4-ylhydrazine

C2H5N5 — CID 19702152

IUPAC2H-triazol-4-ylhydrazine
SMILESNNc1cn[nH]n1
InChIInChI=1S/C2H5N5/c3-5-2-1-4-7-6-2/h1H,3H2,(H2,4,5,6,7)
InChIKeyHYXVVRJLDCYSLX-UHFFFAOYSA-N
MW99.10 g/mol
LogP-0.91
Rot. Bonds1

About 2H-triazol-4-ylhydrazine

2H-triazol-4-ylhydrazine (PubChem CID 19702152) has the molecular formula C2H5N5 and a molecular weight of 99.10 g/mol. Its IUPAC name is 2H-triazol-4-ylhydrazine.

Molecular Properties

Compound Name2H-triazol-4-ylhydrazine
PubChem CID19702152
Molecular FormulaC2H5N5
Molecular Weight99.10 g/mol
Exact Mass99.05
IUPAC Name2H-triazol-4-ylhydrazine
SMILESNNc1cn[nH]n1
InChIInChI=1S/C2H5N5/c3-5-2-1-4-7-6-2/h1H,3H2,(H2,4,5,6,7)
InChIKeyHYXVVRJLDCYSLX-UHFFFAOYSA-N
XLogP-0.91
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2H-triazol-4-ylhydrazine?
The IUPAC name of 2H-triazol-4-ylhydrazine (CID 19702152) is 2H-triazol-4-ylhydrazine.
What is the SMILES notation for 2H-triazol-4-ylhydrazine?
The canonical SMILES for 2H-triazol-4-ylhydrazine is NNc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylhydrazine?
The InChIKey is HYXVVRJLDCYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5/c3-5-2-1-4-7-6-2/h1H,3H2,(H2,4,5,6,7).
What are the key properties of 2H-triazol-4-ylhydrazine?
2H-triazol-4-ylhydrazine has a molecular weight of 99.10 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylhydrazine is sourced from PubChem (CID 19702152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).