6-oxo-7-(triazol-1-yl)heptanehydrazide

C9H15N5O2 — CID 91591780

IUPAC6-oxo-7-(triazol-1-yl)heptanehydrazide
SMILESNNC(=O)CCCCC(=O)Cn1ccnn1
InChIInChI=1S/C9H15N5O2/c10-12-9(16)4-2-1-3-8(15)7-14-6-5-11-13-14/h5-6H,1-4,7,10H2,(H,12,16)
InChIKeyQPJXWBWZZBTQFQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.60
Rot. Bonds7

About 6-oxo-7-(triazol-1-yl)heptanehydrazide

6-oxo-7-(triazol-1-yl)heptanehydrazide (PubChem CID 91591780) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-oxo-7-(triazol-1-yl)heptanehydrazide.

Molecular Properties

Compound Name6-oxo-7-(triazol-1-yl)heptanehydrazide
PubChem CID91591780
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-oxo-7-(triazol-1-yl)heptanehydrazide
SMILESNNC(=O)CCCCC(=O)Cn1ccnn1
InChIInChI=1S/C9H15N5O2/c10-12-9(16)4-2-1-3-8(15)7-14-6-5-11-13-14/h5-6H,1-4,7,10H2,(H,12,16)
InChIKeyQPJXWBWZZBTQFQ-UHFFFAOYSA-N
XLogP-0.60
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 6-oxo-7-(triazol-1-yl)heptanehydrazide?
The IUPAC name of 6-oxo-7-(triazol-1-yl)heptanehydrazide (CID 91591780) is 6-oxo-7-(triazol-1-yl)heptanehydrazide.
What is the SMILES notation for 6-oxo-7-(triazol-1-yl)heptanehydrazide?
The canonical SMILES for 6-oxo-7-(triazol-1-yl)heptanehydrazide is NNC(=O)CCCCC(=O)Cn1ccnn1.
What is the InChIKey of 6-oxo-7-(triazol-1-yl)heptanehydrazide?
The InChIKey is QPJXWBWZZBTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-12-9(16)4-2-1-3-8(15)7-14-6-5-11-13-14/h5-6H,1-4,7,10H2,(H,12,16).
What are the key properties of 6-oxo-7-(triazol-1-yl)heptanehydrazide?
6-oxo-7-(triazol-1-yl)heptanehydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-7-(triazol-1-yl)heptanehydrazide is sourced from PubChem (CID 91591780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).