N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide

C12H17N3O2S — CID 103709500

IUPACN-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H17N3O2S/c1-2-18-9-4-3-8(7-9)13-12(17)10-5-6-11(16)15-14-10/h5-6,8-9H,2-4,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyRBTKHFXGANKPKN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.17
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103709500) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103709500
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H17N3O2S/c1-2-18-9-4-3-8(7-9)13-12(17)10-5-6-11(16)15-14-10/h5-6,8-9H,2-4,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyRBTKHFXGANKPKN-UHFFFAOYSA-N
XLogP1.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103709500) is N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide is CCSC1CCC(NC(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is RBTKHFXGANKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-18-9-4-3-8(7-9)13-12(17)10-5-6-11(16)15-14-10/h5-6,8-9H,2-4,7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103709500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).