2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide

C5H10N6O2 — CID 11435368

IUPAC2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide
SMILESCc1nn(CC(=O)NN)c(=O)n1N
InChIInChI=1S/C5H10N6O2/c1-3-9-10(2-4(12)8-6)5(13)11(3)7/h2,6-7H2,1H3,(H,8,12)
InChIKeyCUPDCOZGLLBLMZ-UHFFFAOYSA-N
MW186.18 g/mol
LogP-2.94
Rot. Bonds2

About 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide

2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide (PubChem CID 11435368) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide
PubChem CID11435368
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Name2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide
SMILESCc1nn(CC(=O)NN)c(=O)n1N
InChIInChI=1S/C5H10N6O2/c1-3-9-10(2-4(12)8-6)5(13)11(3)7/h2,6-7H2,1H3,(H,8,12)
InChIKeyCUPDCOZGLLBLMZ-UHFFFAOYSA-N
XLogP-2.94
TPSA120.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-2.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide (CID 11435368) is 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide is Cc1nn(CC(=O)NN)c(=O)n1N.
What is the InChIKey of 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide?
The InChIKey is CUPDCOZGLLBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O2/c1-3-9-10(2-4(12)8-6)5(13)11(3)7/h2,6-7H2,1H3,(H,8,12).
What are the key properties of 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide?
2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide has a molecular weight of 186.18 g/mol, XLogP of -2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide is sourced from PubChem (CID 11435368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).