6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide

C13H15N5OS — CID 62845505

IUPAC6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NC2CCCc3sccc32)nn1
InChIInChI=1S/C13H15N5OS/c14-16-12-5-4-10(17-18-12)13(19)15-9-2-1-3-11-8(9)6-7-20-11/h4-7,9H,1-3,14H2,(H,15,19)(H,16,18)
InChIKeyATBHVLYVVZKFOW-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.63
Rot. Bonds3

About 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide

6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide (PubChem CID 62845505) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
PubChem CID62845505
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NC2CCCc3sccc32)nn1
InChIInChI=1S/C13H15N5OS/c14-16-12-5-4-10(17-18-12)13(19)15-9-2-1-3-11-8(9)6-7-20-11/h4-7,9H,1-3,14H2,(H,15,19)(H,16,18)
InChIKeyATBHVLYVVZKFOW-UHFFFAOYSA-N
XLogP1.63
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
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 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide (CID 62845505) is 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide is NNc1ccc(C(=O)NC2CCCc3sccc32)nn1.
What is the InChIKey of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide?
The InChIKey is ATBHVLYVVZKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-16-12-5-4-10(17-18-12)13(19)15-9-2-1-3-11-8(9)6-7-20-11/h4-7,9H,1-3,14H2,(H,15,19)(H,16,18).
What are the key properties of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide?
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 62845505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).