3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one

C8H10N6OS — CID 62245036

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2NN)cn1
InChIInChI=1S/C8H10N6OS/c1-5-2-7(15)14(4-10-5)3-6-8(11-9)16-13-12-6/h2,4,11H,3,9H2,1H3
InChIKeyDELNTQMFJXXFCH-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.26
Rot. Bonds3

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one

3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one (PubChem CID 62245036) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
PubChem CID62245036
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2NN)cn1
InChIInChI=1S/C8H10N6OS/c1-5-2-7(15)14(4-10-5)3-6-8(11-9)16-13-12-6/h2,4,11H,3,9H2,1H3
InChIKeyDELNTQMFJXXFCH-UHFFFAOYSA-N
XLogP-0.26
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one (CID 62245036) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2nnsc2NN)cn1.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is DELNTQMFJXXFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-5-2-7(15)14(4-10-5)3-6-8(11-9)16-13-12-6/h2,4,11H,3,9H2,1H3.
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 238.28 g/mol, XLogP of -0.26, 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]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62245036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).