N-(3-methylsulfonylpropyl)pyridazin-3-amine

C8H13N3O2S — CID 62484074

IUPACN-(3-methylsulfonylpropyl)pyridazin-3-amine
SMILESCS(=O)(=O)CCCNc1cccnn1
InChIInChI=1S/C8H13N3O2S/c1-14(12,13)7-3-5-9-8-4-2-6-10-11-8/h2,4,6H,3,5,7H2,1H3,(H,9,11)
InChIKeyAKYYORPANTZPRN-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.32
Rot. Bonds5

About N-(3-methylsulfonylpropyl)pyridazin-3-amine

N-(3-methylsulfonylpropyl)pyridazin-3-amine (PubChem CID 62484074) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)pyridazin-3-amine
PubChem CID62484074
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(3-methylsulfonylpropyl)pyridazin-3-amine
SMILESCS(=O)(=O)CCCNc1cccnn1
InChIInChI=1S/C8H13N3O2S/c1-14(12,13)7-3-5-9-8-4-2-6-10-11-8/h2,4,6H,3,5,7H2,1H3,(H,9,11)
InChIKeyAKYYORPANTZPRN-UHFFFAOYSA-N
XLogP0.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
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-(3-methylsulfonylpropyl)pyridazin-3-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)pyridazin-3-amine (CID 62484074) is N-(3-methylsulfonylpropyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)pyridazin-3-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)pyridazin-3-amine is CS(=O)(=O)CCCNc1cccnn1.
What is the InChIKey of N-(3-methylsulfonylpropyl)pyridazin-3-amine?
The InChIKey is AKYYORPANTZPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-14(12,13)7-3-5-9-8-4-2-6-10-11-8/h2,4,6H,3,5,7H2,1H3,(H,9,11).
What are the key properties of N-(3-methylsulfonylpropyl)pyridazin-3-amine?
N-(3-methylsulfonylpropyl)pyridazin-3-amine has a molecular weight of 215.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)pyridazin-3-amine is sourced from PubChem (CID 62484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).