(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine

C9H11N5 — CID 13046508

IUPAC(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine
SMILESNNc1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C9H11N5/c10-12-9-11-8(13-14-9)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H2,11,12,13,14)
InChIKeyXRYVBTZTDDFFNF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.68
Rot. Bonds3

About (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine

(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine (PubChem CID 13046508) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine.

Molecular Properties

Compound Name(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine
PubChem CID13046508
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine
SMILESNNc1n[nH]c(Cc2ccccc2)n1
InChIInChI=1S/C9H11N5/c10-12-9-11-8(13-14-9)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H2,11,12,13,14)
InChIKeyXRYVBTZTDDFFNF-UHFFFAOYSA-N
XLogP0.68
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.68
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 (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine?
The IUPAC name of (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine (CID 13046508) is (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine.
What is the SMILES notation for (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine?
The canonical SMILES for (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine is NNc1n[nH]c(Cc2ccccc2)n1.
What is the InChIKey of (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine?
The InChIKey is XRYVBTZTDDFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-12-9-11-8(13-14-9)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H2,11,12,13,14).
What are the key properties of (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine?
(5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine has a molecular weight of 189.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1H-1,2,4-triazol-3-yl)hydrazine is sourced from PubChem (CID 13046508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).