[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine

C12H19N5O3 — CID 114218872

IUPAC[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine
SMILESCCC1CN(c2cc([N+](=O)[O-])cc(NN)n2)CCCO1
InChIInChI=1S/C12H19N5O3/c1-2-10-8-16(4-3-5-20-10)12-7-9(17(18)19)6-11(14-12)15-13/h6-7,10H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyHEWRQELIMXCNML-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.28
Rot. Bonds4

About [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine

[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine (PubChem CID 114218872) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine
PubChem CID114218872
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine
SMILESCCC1CN(c2cc([N+](=O)[O-])cc(NN)n2)CCCO1
InChIInChI=1S/C12H19N5O3/c1-2-10-8-16(4-3-5-20-10)12-7-9(17(18)19)6-11(14-12)15-13/h6-7,10H,2-5,8,13H2,1H3,(H,14,15)
InChIKeyHEWRQELIMXCNML-UHFFFAOYSA-N
XLogP1.28
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine (CID 114218872) is [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine is CCC1CN(c2cc([N+](=O)[O-])cc(NN)n2)CCCO1.
What is the InChIKey of [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine?
The InChIKey is HEWRQELIMXCNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-10-8-16(4-3-5-20-10)12-7-9(17(18)19)6-11(14-12)15-13/h6-7,10H,2-5,8,13H2,1H3,(H,14,15).
What are the key properties of [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine?
[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine has a molecular weight of 281.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 114218872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).