3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide

C11H13Cl2N3OS — CID 114122854

IUPAC3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
SMILESCSC1CCC(NC(=O)c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H13Cl2N3OS/c1-18-7-3-2-6(4-7)14-11(17)8-5-9(12)15-16-10(8)13/h5-7H,2-4H2,1H3,(H,14,17)
InChIKeyLQQAHQSENIPFPI-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.80
Rot. Bonds3

About 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide

3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide (PubChem CID 114122854) has the molecular formula C11H13Cl2N3OS and a molecular weight of 306.22 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
PubChem CID114122854
Molecular FormulaC11H13Cl2N3OS
Molecular Weight306.22 g/mol
Exact Mass305.02
IUPAC Name3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
SMILESCSC1CCC(NC(=O)c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H13Cl2N3OS/c1-18-7-3-2-6(4-7)14-11(17)8-5-9(12)15-16-10(8)13/h5-7H,2-4H2,1H3,(H,14,17)
InChIKeyLQQAHQSENIPFPI-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
CID 114038451
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114124028
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
CID 99815703
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
CID 114124411

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide (CID 114122854) is 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide is CSC1CCC(NC(=O)c2cc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide?
The InChIKey is LQQAHQSENIPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3OS/c1-18-7-3-2-6(4-7)14-11(17)8-5-9(12)15-16-10(8)13/h5-7H,2-4H2,1H3,(H,14,17).
What are the key properties of 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide has a molecular weight of 306.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide is sourced from PubChem (CID 114122854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).