N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide

C10H15N3O2S — CID 103852367

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCSCCCO)c1ccnnc1
InChIInChI=1S/C10H15N3O2S/c14-5-1-6-16-7-4-11-10(15)9-2-3-12-13-8-9/h2-3,8,14H,1,4-7H2,(H,11,15)
InChIKeyXFSOILMVMRWWPD-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.32
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide (PubChem CID 103852367) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide
PubChem CID103852367
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCSCCCO)c1ccnnc1
InChIInChI=1S/C10H15N3O2S/c14-5-1-6-16-7-4-11-10(15)9-2-3-12-13-8-9/h2-3,8,14H,1,4-7H2,(H,11,15)
InChIKeyXFSOILMVMRWWPD-UHFFFAOYSA-N
XLogP0.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
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]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide (CID 103852367) is N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide is O=C(NCCSCCCO)c1ccnnc1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is XFSOILMVMRWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-5-1-6-16-7-4-11-10(15)9-2-3-12-13-8-9/h2-3,8,14H,1,4-7H2,(H,11,15).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 103852367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).