3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide

C8H16N4O2 — CID 130624603

IUPAC3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide
SMILESCN1CCCN(CCC(=O)NN)C1=O
InChIInChI=1S/C8H16N4O2/c1-11-4-2-5-12(8(11)14)6-3-7(13)10-9/h2-6,9H2,1H3,(H,10,13)
InChIKeySFNWNGWIKDEPCD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.88
Rot. Bonds3

About 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide

3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide (PubChem CID 130624603) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide
PubChem CID130624603
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide
SMILESCN1CCCN(CCC(=O)NN)C1=O
InChIInChI=1S/C8H16N4O2/c1-11-4-2-5-12(8(11)14)6-3-7(13)10-9/h2-6,9H2,1H3,(H,10,13)
InChIKeySFNWNGWIKDEPCD-UHFFFAOYSA-N
XLogP-0.88
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide?
The IUPAC name of 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide (CID 130624603) is 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide is CN1CCCN(CCC(=O)NN)C1=O.
What is the InChIKey of 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide?
The InChIKey is SFNWNGWIKDEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11-4-2-5-12(8(11)14)6-3-7(13)10-9/h2-6,9H2,1H3,(H,10,13).
What are the key properties of 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide?
3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide has a molecular weight of 200.24 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)propanehydrazide is sourced from PubChem (CID 130624603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).