2-(1,2,4-triazol-1-yl)acetohydrazide

C4H7N5O — CID 2766534

IUPAC2-(1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cncn1
InChIInChI=1S/C4H7N5O/c5-8-4(10)1-9-3-6-2-7-9/h2-3H,1,5H2,(H,8,10)
InChIKeyAJKQSTXJOPINFK-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.73
Rot. Bonds2

About 2-(1,2,4-triazol-1-yl)acetohydrazide

2-(1,2,4-triazol-1-yl)acetohydrazide (PubChem CID 2766534) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)acetohydrazide
PubChem CID2766534
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name2-(1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1cncn1
InChIInChI=1S/C4H7N5O/c5-8-4(10)1-9-3-6-2-7-9/h2-3H,1,5H2,(H,8,10)
InChIKeyAJKQSTXJOPINFK-UHFFFAOYSA-N
XLogP-1.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide
CID 3877416
1H-Tetrazole-1-acetic acid, hydrazide
CID 11480497
2-(5-amino-1H-tetrazol-1-yl)acetohydrazide
CID 16765167
N-(1,2,4-triazol-4-yl)acetamide
CID 21365
2-[5-(dimethylamino)-1H-1,2,3,4-tetraazol-1-yl]acetohydrazide
CID 1487173
2-Methyl-2-(1H-1,2,4-triazol-1-yl)propanehydrazide
CID 2764118
2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2764817
2-oxo-2-{2-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]hydrazino}acetamide
CID 3810275
N-(1,2,4-triazol-1-yl)acetamide
CID 14686854
2-(1,2,4-Triazol-4-yl)acetamide
CID 19434537
2-(1H-1,2,4-Triazol-1-yl)propanehydrazide
CID 45122778
N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60718173

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)acetohydrazide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)acetohydrazide (CID 2766534) is 2-(1,2,4-triazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)acetohydrazide is NNC(=O)Cn1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)acetohydrazide?
The InChIKey is AJKQSTXJOPINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-8-4(10)1-9-3-6-2-7-9/h2-3H,1,5H2,(H,8,10).
What are the key properties of 2-(1,2,4-triazol-1-yl)acetohydrazide?
2-(1,2,4-triazol-1-yl)acetohydrazide has a molecular weight of 141.13 g/mol, XLogP of -1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)acetohydrazide is sourced from PubChem (CID 2766534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).