2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one

C9H12N4OS — CID 53367410

IUPAC2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one
SMILESCC(C)n1c(NN)nc2ccsc2c1=O
InChIInChI=1S/C9H12N4OS/c1-5(2)13-8(14)7-6(3-4-15-7)11-9(13)12-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyLZJRBOYUKQLZMW-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.32
Rot. Bonds2

About 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one

2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 53367410) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID53367410
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one
SMILESCC(C)n1c(NN)nc2ccsc2c1=O
InChIInChI=1S/C9H12N4OS/c1-5(2)13-8(14)7-6(3-4-15-7)11-9(13)12-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyLZJRBOYUKQLZMW-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one (CID 53367410) is 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one is CC(C)n1c(NN)nc2ccsc2c1=O.
What is the InChIKey of 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is LZJRBOYUKQLZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-5(2)13-8(14)7-6(3-4-15-7)11-9(13)12-10/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one?
2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 224.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53367410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).