N-cyclopropyl-6-methylsulfanylpyridazin-3-amine

C8H11N3S — CID 89470237

IUPACN-cyclopropyl-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NC2CC2)nn1
InChIInChI=1S/C8H11N3S/c1-12-8-5-4-7(10-11-8)9-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyIYRKAJZWFXXGBQ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.77
Rot. Bonds3

About N-cyclopropyl-6-methylsulfanylpyridazin-3-amine

N-cyclopropyl-6-methylsulfanylpyridazin-3-amine (PubChem CID 89470237) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-cyclopropyl-6-methylsulfanylpyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methylsulfanylpyridazin-3-amine
PubChem CID89470237
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC NameN-cyclopropyl-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NC2CC2)nn1
InChIInChI=1S/C8H11N3S/c1-12-8-5-4-7(10-11-8)9-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyIYRKAJZWFXXGBQ-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methylsulfanylpyridazin-3-amine?
The IUPAC name of N-cyclopropyl-6-methylsulfanylpyridazin-3-amine (CID 89470237) is N-cyclopropyl-6-methylsulfanylpyridazin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-methylsulfanylpyridazin-3-amine?
The canonical SMILES for N-cyclopropyl-6-methylsulfanylpyridazin-3-amine is CSc1ccc(NC2CC2)nn1.
What is the InChIKey of N-cyclopropyl-6-methylsulfanylpyridazin-3-amine?
The InChIKey is IYRKAJZWFXXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-12-8-5-4-7(10-11-8)9-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of N-cyclopropyl-6-methylsulfanylpyridazin-3-amine?
N-cyclopropyl-6-methylsulfanylpyridazin-3-amine has a molecular weight of 181.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methylsulfanylpyridazin-3-amine is sourced from PubChem (CID 89470237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).