2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one

C7H8N4OS — CID 53337713

IUPAC2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(NN)nc2ccsc2c1=O
InChIInChI=1S/C7H8N4OS/c1-11-6(12)5-4(2-3-13-5)9-7(11)10-8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyAGRQIONVWFEZQN-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.28
Rot. Bonds1

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

2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 53337713) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID53337713
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(NN)nc2ccsc2c1=O
InChIInChI=1S/C7H8N4OS/c1-11-6(12)5-4(2-3-13-5)9-7(11)10-8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyAGRQIONVWFEZQN-UHFFFAOYSA-N
XLogP0.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.28
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-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one (CID 53337713) is 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one is Cn1c(NN)nc2ccsc2c1=O.
What is the InChIKey of 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is AGRQIONVWFEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-11-6(12)5-4(2-3-13-5)9-7(11)10-8/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one?
2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 196.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53337713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).