(5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine

C8H13N3S — CID 61096433

IUPAC(5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine
SMILESCSc1nnc(C)c(C)c1CN
InChIInChI=1S/C8H13N3S/c1-5-6(2)10-11-8(12-3)7(5)4-9/h4,9H2,1-3H3
InChIKeyWSBXZJMHNMTOTB-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.27
Rot. Bonds2

About (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine

(5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine (PubChem CID 61096433) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine
PubChem CID61096433
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name(5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine
SMILESCSc1nnc(C)c(C)c1CN
InChIInChI=1S/C8H13N3S/c1-5-6(2)10-11-8(12-3)7(5)4-9/h4,9H2,1-3H3
InChIKeyWSBXZJMHNMTOTB-UHFFFAOYSA-N
XLogP1.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine?
The IUPAC name of (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine (CID 61096433) is (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine.
What is the SMILES notation for (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine?
The canonical SMILES for (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine is CSc1nnc(C)c(C)c1CN.
What is the InChIKey of (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine?
The InChIKey is WSBXZJMHNMTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-6(2)10-11-8(12-3)7(5)4-9/h4,9H2,1-3H3.
What are the key properties of (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine?
(5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine is sourced from PubChem (CID 61096433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).