(3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine

C9H15N3S — CID 61098232

IUPAC(3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCCSc1nnc(C)c(C)c1CN
InChIInChI=1S/C9H15N3S/c1-4-13-9-8(5-10)6(2)7(3)11-12-9/h4-5,10H2,1-3H3
InChIKeyZIQXPMHPNBTSAY-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.66
Rot. Bonds3

About (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine

(3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine (PubChem CID 61098232) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
PubChem CID61098232
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCCSc1nnc(C)c(C)c1CN
InChIInChI=1S/C9H15N3S/c1-4-13-9-8(5-10)6(2)7(3)11-12-9/h4-5,10H2,1-3H3
InChIKeyZIQXPMHPNBTSAY-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
The IUPAC name of (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine (CID 61098232) is (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine is CCSc1nnc(C)c(C)c1CN.
What is the InChIKey of (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
The InChIKey is ZIQXPMHPNBTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-13-9-8(5-10)6(2)7(3)11-12-9/h4-5,10H2,1-3H3.
What are the key properties of (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
(3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine is sourced from PubChem (CID 61098232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).