3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide

C7H9IN4O2 — CID 66308882

IUPAC3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C7H9IN4O2/c8-5-3-10-4-12(7(5)14)2-1-6(13)11-9/h3-4H,1-2,9H2,(H,11,13)
InChIKeyUWVADGBAYLXQON-UHFFFAOYSA-N
MW308.08 g/mol
LogP-0.77
Rot. Bonds3

About 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide

3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 66308882) has the molecular formula C7H9IN4O2 and a molecular weight of 308.08 g/mol. Its IUPAC name is 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID66308882
Molecular FormulaC7H9IN4O2
Molecular Weight308.08 g/mol
Exact Mass307.98
IUPAC Name3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide
SMILESNNC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C7H9IN4O2/c8-5-3-10-4-12(7(5)14)2-1-6(13)11-9/h3-4H,1-2,9H2,(H,11,13)
InChIKeyUWVADGBAYLXQON-UHFFFAOYSA-N
XLogP-0.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide (CID 66308882) is 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide is NNC(=O)CCn1cncc(I)c1=O.
What is the InChIKey of 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is UWVADGBAYLXQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN4O2/c8-5-3-10-4-12(7(5)14)2-1-6(13)11-9/h3-4H,1-2,9H2,(H,11,13).
What are the key properties of 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide?
3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 308.08 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 66308882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).