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

C12H20N6O2 — CID 135077581

IUPAC1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCCCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C12H20N6O2/c1-2-3-11(19)17-6-4-9(5-7-17)18-8-10(15-16-18)12(20)14-13/h8-9H,2-7,13H2,1H3,(H,14,20)
InChIKeyPIAFTTKNULPFSC-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.15
Rot. Bonds4

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

1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide (PubChem CID 135077581) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide
PubChem CID135077581
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCCCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C12H20N6O2/c1-2-3-11(19)17-6-4-9(5-7-17)18-8-10(15-16-18)12(20)14-13/h8-9H,2-7,13H2,1H3,(H,14,20)
InChIKeyPIAFTTKNULPFSC-UHFFFAOYSA-N
XLogP-0.15
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.15
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-butanoylpiperidin-4-yl)triazole-4-carbohydrazide?
The IUPAC name of 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide (CID 135077581) is 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide is CCCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide?
The InChIKey is PIAFTTKNULPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-2-3-11(19)17-6-4-9(5-7-17)18-8-10(15-16-18)12(20)14-13/h8-9H,2-7,13H2,1H3,(H,14,20).
What are the key properties of 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide?
1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide has a molecular weight of 280.33 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidin-4-yl)triazole-4-carbohydrazide is sourced from PubChem (CID 135077581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).