N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H15N3O2S — CID 61167773

IUPACN-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2ccsc2)C2CC2)=NN1
InChIInChI=1S/C13H15N3O2S/c17-12-4-3-11(14-15-12)13(18)16(10-1-2-10)7-9-5-6-19-8-9/h5-6,8,10H,1-4,7H2,(H,15,17)
InChIKeyHUHAHQOXGLZVMX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.51
Rot. Bonds4

About N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 61167773) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID61167773
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N(Cc2ccsc2)C2CC2)=NN1
InChIInChI=1S/C13H15N3O2S/c17-12-4-3-11(14-15-12)13(18)16(10-1-2-10)7-9-5-6-19-8-9/h5-6,8,10H,1-4,7H2,(H,15,17)
InChIKeyHUHAHQOXGLZVMX-UHFFFAOYSA-N
XLogP1.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 61167773) is N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)N(Cc2ccsc2)C2CC2)=NN1.
What is the InChIKey of N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HUHAHQOXGLZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-12-4-3-11(14-15-12)13(18)16(10-1-2-10)7-9-5-6-19-8-9/h5-6,8,10H,1-4,7H2,(H,15,17).
What are the key properties of N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 61167773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).