5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide

C13H11N5O2S — CID 2810177

IUPAC5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12
InChIInChI=1S/C13H11N5O2S/c14-11-9-8(6-21-11)10(12(19)16-15)17-18(13(9)20)7-4-2-1-3-5-7/h1-6H,14-15H2,(H,16,19)
InChIKeyFMAPRMDTIAZYPQ-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.63
Rot. Bonds2

About 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide

5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide (PubChem CID 2810177) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide.

Molecular Properties

Compound Name5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide
PubChem CID2810177
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12
InChIInChI=1S/C13H11N5O2S/c14-11-9-8(6-21-11)10(12(19)16-15)17-18(13(9)20)7-4-2-1-3-5-7/h1-6H,14-15H2,(H,16,19)
InChIKeyFMAPRMDTIAZYPQ-UHFFFAOYSA-N
XLogP0.63
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide?
The IUPAC name of 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide (CID 2810177) is 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide.
What is the SMILES notation for 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide?
The canonical SMILES for 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide is NNC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide?
The InChIKey is FMAPRMDTIAZYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c14-11-9-8(6-21-11)10(12(19)16-15)17-18(13(9)20)7-4-2-1-3-5-7/h1-6H,14-15H2,(H,16,19).
What are the key properties of 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide?
5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide has a molecular weight of 301.33 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carbohydrazide is sourced from PubChem (CID 2810177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).