N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H17N3O3S — CID 103801118

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCSCCCO)=NN1
InChIInChI=1S/C10H17N3O3S/c14-5-1-6-17-7-4-11-10(16)8-2-3-9(15)13-12-8/h14H,1-7H2,(H,11,16)(H,13,15)
InChIKeyKOMSWWAYVZEZHC-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.52
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103801118) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103801118
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCSCCCO)=NN1
InChIInChI=1S/C10H17N3O3S/c14-5-1-6-17-7-4-11-10(16)8-2-3-9(15)13-12-8/h14H,1-7H2,(H,11,16)(H,13,15)
InChIKeyKOMSWWAYVZEZHC-UHFFFAOYSA-N
XLogP-0.52
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103801118) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCSCCCO)=NN1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is KOMSWWAYVZEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c14-5-1-6-17-7-4-11-10(16)8-2-3-9(15)13-12-8/h14H,1-7H2,(H,11,16)(H,13,15).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 259.33 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103801118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).