2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide

C6H11N5O — CID 2764118

IUPAC2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide
SMILESCC(C)(C(=O)NN)n1cncn1
InChIInChI=1S/C6H11N5O/c1-6(2,5(12)10-7)11-4-8-3-9-11/h3-4H,7H2,1-2H3,(H,10,12)
InChIKeyZTYIXAPRQZAEPL-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.00
Rot. Bonds2

About 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide

2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide (PubChem CID 2764118) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide
PubChem CID2764118
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide
SMILESCC(C)(C(=O)NN)n1cncn1
InChIInChI=1S/C6H11N5O/c1-6(2,5(12)10-7)11-4-8-3-9-11/h3-4H,7H2,1-2H3,(H,10,12)
InChIKeyZTYIXAPRQZAEPL-UHFFFAOYSA-N
XLogP-1.00
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 ≤ 5-1.00
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-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide?
The IUPAC name of 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide (CID 2764118) is 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide?
The canonical SMILES for 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide is CC(C)(C(=O)NN)n1cncn1.
What is the InChIKey of 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide?
The InChIKey is ZTYIXAPRQZAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-6(2,5(12)10-7)11-4-8-3-9-11/h3-4H,7H2,1-2H3,(H,10,12).
What are the key properties of 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide?
2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide has a molecular weight of 169.19 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide is sourced from PubChem (CID 2764118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).