N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane

C10H20N4O3 — CID 143571906

IUPACN'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane
SMILESCC.CC(=O)NNCCN1NC(=O)CCC1=O
InChIInChI=1S/C8H14N4O3.C2H6/c1-6(13)10-9-4-5-12-8(15)3-2-7(14)11-12;1-2/h9H,2-5H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeyHZSCDCJKZYGPOM-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.69
Rot. Bonds4

About N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane

N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane (PubChem CID 143571906) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane.

Molecular Properties

Compound NameN'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane
PubChem CID143571906
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane
SMILESCC.CC(=O)NNCCN1NC(=O)CCC1=O
InChIInChI=1S/C8H14N4O3.C2H6/c1-6(13)10-9-4-5-12-8(15)3-2-7(14)11-12;1-2/h9H,2-5H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeyHZSCDCJKZYGPOM-UHFFFAOYSA-N
XLogP-0.69
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane?
The IUPAC name of N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane (CID 143571906) is N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane.
What is the SMILES notation for N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane?
The canonical SMILES for N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane is CC.CC(=O)NNCCN1NC(=O)CCC1=O.
What is the InChIKey of N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane?
The InChIKey is HZSCDCJKZYGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3.C2H6/c1-6(13)10-9-4-5-12-8(15)3-2-7(14)11-12;1-2/h9H,2-5H2,1H3,(H,10,13)(H,11,14);1-2H3.
What are the key properties of N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane?
N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane has a molecular weight of 244.29 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane is sourced from PubChem (CID 143571906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).