2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide

C6H11N5O — CID 5270933

IUPAC2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide
SMILESCc1nc(CC(=O)NN)nn1C
InChIInChI=1S/C6H11N5O/c1-4-8-5(10-11(4)2)3-6(12)9-7/h3,7H2,1-2H3,(H,9,12)
InChIKeyMEYYMAVJAYIXSR-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.34
Rot. Bonds2

About 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide

2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide (PubChem CID 5270933) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide
PubChem CID5270933
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide
SMILESCc1nc(CC(=O)NN)nn1C
InChIInChI=1S/C6H11N5O/c1-4-8-5(10-11(4)2)3-6(12)9-7/h3,7H2,1-2H3,(H,9,12)
InChIKeyMEYYMAVJAYIXSR-UHFFFAOYSA-N
XLogP-1.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.34
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide?
The IUPAC name of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide (CID 5270933) is 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide?
The canonical SMILES for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide is Cc1nc(CC(=O)NN)nn1C.
What is the InChIKey of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide?
The InChIKey is MEYYMAVJAYIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4-8-5(10-11(4)2)3-6(12)9-7/h3,7H2,1-2H3,(H,9,12).
What are the key properties of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide?
2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide has a molecular weight of 169.19 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)acetohydrazide is sourced from PubChem (CID 5270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).