1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide

C9H16N6O — CID 135086119

IUPAC1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCN1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C9H16N6O/c1-14-4-2-7(3-5-14)15-6-8(12-13-15)9(16)11-10/h6-7H,2-5,10H2,1H3,(H,11,16)
InChIKeyZURWPCJQBMLHDB-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.85
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide

1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide (PubChem CID 135086119) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide
PubChem CID135086119
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCN1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C9H16N6O/c1-14-4-2-7(3-5-14)15-6-8(12-13-15)9(16)11-10/h6-7H,2-5,10H2,1H3,(H,11,16)
InChIKeyZURWPCJQBMLHDB-UHFFFAOYSA-N
XLogP-0.85
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide (CID 135086119) is 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide is CN1CCC(n2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide?
The InChIKey is ZURWPCJQBMLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-14-4-2-7(3-5-14)15-6-8(12-13-15)9(16)11-10/h6-7H,2-5,10H2,1H3,(H,11,16).
What are the key properties of 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide?
1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide has a molecular weight of 224.27 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)triazole-4-carbohydrazide is sourced from PubChem (CID 135086119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).