1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one

C15H24N4O — CID 79231523

IUPAC1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(Cc2cccc(NN)n2)CC1
InChIInChI=1S/C15H24N4O/c1-2-4-12-7-8-15(20)19(10-9-12)11-13-5-3-6-14(17-13)18-16/h3,5-6,12H,2,4,7-11,16H2,1H3,(H,17,18)
InChIKeyCUJNJGAAOHHYDK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds5

About 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one

1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one (PubChem CID 79231523) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one.

Molecular Properties

Compound Name1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one
PubChem CID79231523
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(Cc2cccc(NN)n2)CC1
InChIInChI=1S/C15H24N4O/c1-2-4-12-7-8-15(20)19(10-9-12)11-13-5-3-6-14(17-13)18-16/h3,5-6,12H,2,4,7-11,16H2,1H3,(H,17,18)
InChIKeyCUJNJGAAOHHYDK-UHFFFAOYSA-N
XLogP2.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one?
The IUPAC name of 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one (CID 79231523) is 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one.
What is the SMILES notation for 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one?
The canonical SMILES for 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one is CCCC1CCC(=O)N(Cc2cccc(NN)n2)CC1.
What is the InChIKey of 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one?
The InChIKey is CUJNJGAAOHHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-4-12-7-8-15(20)19(10-9-12)11-13-5-3-6-14(17-13)18-16/h3,5-6,12H,2,4,7-11,16H2,1H3,(H,17,18).
What are the key properties of 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one?
1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one is sourced from PubChem (CID 79231523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).