5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide

C13H10ClN5O2S — CID 51040532

IUPAC5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C13H10ClN5O2S/c14-6-1-3-7(4-2-6)19-13(21)9-8(5-22-11(9)15)10(18-19)12(20)17-16/h1-5H,15-16H2,(H,17,20)
InChIKeyHTDKBCJBNNHUKY-UHFFFAOYSA-N
MW335.78 g/mol
LogP1.29
Rot. Bonds2

About 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide

5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide (PubChem CID 51040532) has the molecular formula C13H10ClN5O2S and a molecular weight of 335.78 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide
PubChem CID51040532
Molecular FormulaC13H10ClN5O2S
Molecular Weight335.78 g/mol
Exact Mass335.02
IUPAC Name5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C13H10ClN5O2S/c14-6-1-3-7(4-2-6)19-13(21)9-8(5-22-11(9)15)10(18-19)12(20)17-16/h1-5H,15-16H2,(H,17,20)
InChIKeyHTDKBCJBNNHUKY-UHFFFAOYSA-N
XLogP1.29
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 51.29
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-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide?
The IUPAC name of 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide (CID 51040532) is 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide is NNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide?
The InChIKey is HTDKBCJBNNHUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2S/c14-6-1-3-7(4-2-6)19-13(21)9-8(5-22-11(9)15)10(18-19)12(20)17-16/h1-5H,15-16H2,(H,17,20).
What are the key properties of 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide?
5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide has a molecular weight of 335.78 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carbohydrazide is sourced from PubChem (CID 51040532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).