2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one

C9H8N4OS — CID 4673141

IUPAC2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(NN=Cc2cccs2)[nH]1
InChIInChI=1S/C9H8N4OS/c14-8-3-4-10-9(12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H2,10,12,13,14)
InChIKeyFXPAMIBZDHSGTE-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.28
Rot. Bonds3

About 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one

2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 4673141) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID4673141
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(NN=Cc2cccs2)[nH]1
InChIInChI=1S/C9H8N4OS/c14-8-3-4-10-9(12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H2,10,12,13,14)
InChIKeyFXPAMIBZDHSGTE-UHFFFAOYSA-N
XLogP1.28
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 4673141) is 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one is O=c1ccnc(NN=Cc2cccs2)[nH]1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is FXPAMIBZDHSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c14-8-3-4-10-9(12-8)13-11-6-7-2-1-5-15-7/h1-6H,(H2,10,12,13,14).
What are the key properties of 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 220.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 4673141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).