3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one

C7H7IN6OS — CID 66309934

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
SMILESNNc1snnc1Cn1cncc(I)c1=O
InChIInChI=1S/C7H7IN6OS/c8-4-1-10-3-14(7(4)15)2-5-6(11-9)16-13-12-5/h1,3,11H,2,9H2
InChIKeyYEGVNUNOLUVYPP-UHFFFAOYSA-N
MW350.15 g/mol
LogP0.03
Rot. Bonds3

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one

3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one (PubChem CID 66309934) has the molecular formula C7H7IN6OS and a molecular weight of 350.15 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
PubChem CID66309934
Molecular FormulaC7H7IN6OS
Molecular Weight350.15 g/mol
Exact Mass349.94
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
SMILESNNc1snnc1Cn1cncc(I)c1=O
InChIInChI=1S/C7H7IN6OS/c8-4-1-10-3-14(7(4)15)2-5-6(11-9)16-13-12-5/h1,3,11H,2,9H2
InChIKeyYEGVNUNOLUVYPP-UHFFFAOYSA-N
XLogP0.03
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one (CID 66309934) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one is NNc1snnc1Cn1cncc(I)c1=O.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
The InChIKey is YEGVNUNOLUVYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN6OS/c8-4-1-10-3-14(7(4)15)2-5-6(11-9)16-13-12-5/h1,3,11H,2,9H2.
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one?
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one has a molecular weight of 350.15 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66309934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).