(3-propylsulfanylpyridazin-4-yl)methanamine

C8H13N3S — CID 80514513

IUPAC(3-propylsulfanylpyridazin-4-yl)methanamine
SMILESCCCSc1nnccc1CN
InChIInChI=1S/C8H13N3S/c1-2-5-12-8-7(6-9)3-4-10-11-8/h3-4H,2,5-6,9H2,1H3
InChIKeyBMLQMUGDXZHPRM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.44
Rot. Bonds4

About (3-propylsulfanylpyridazin-4-yl)methanamine

(3-propylsulfanylpyridazin-4-yl)methanamine (PubChem CID 80514513) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is (3-propylsulfanylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-propylsulfanylpyridazin-4-yl)methanamine
PubChem CID80514513
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name(3-propylsulfanylpyridazin-4-yl)methanamine
SMILESCCCSc1nnccc1CN
InChIInChI=1S/C8H13N3S/c1-2-5-12-8-7(6-9)3-4-10-11-8/h3-4H,2,5-6,9H2,1H3
InChIKeyBMLQMUGDXZHPRM-UHFFFAOYSA-N
XLogP1.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propylsulfanylpyridazin-4-yl)methanamine?
The IUPAC name of (3-propylsulfanylpyridazin-4-yl)methanamine (CID 80514513) is (3-propylsulfanylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-propylsulfanylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-propylsulfanylpyridazin-4-yl)methanamine is CCCSc1nnccc1CN.
What is the InChIKey of (3-propylsulfanylpyridazin-4-yl)methanamine?
The InChIKey is BMLQMUGDXZHPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-5-12-8-7(6-9)3-4-10-11-8/h3-4H,2,5-6,9H2,1H3.
What are the key properties of (3-propylsulfanylpyridazin-4-yl)methanamine?
(3-propylsulfanylpyridazin-4-yl)methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylsulfanylpyridazin-4-yl)methanamine is sourced from PubChem (CID 80514513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).