[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine

C14H23N3OS — CID 106495006

IUPAC[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(SCC2CCCO2)c(CN)c1CC
InChIInChI=1S/C14H23N3OS/c1-3-11-12(8-15)14(17-16-13(11)4-2)19-9-10-6-5-7-18-10/h10H,3-9,15H2,1-2H3
InChIKeyJYVUVOHSCPXFKS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.33
Rot. Bonds6

About [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine (PubChem CID 106495006) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
PubChem CID106495006
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(SCC2CCCO2)c(CN)c1CC
InChIInChI=1S/C14H23N3OS/c1-3-11-12(8-15)14(17-16-13(11)4-2)19-9-10-6-5-7-18-10/h10H,3-9,15H2,1-2H3
InChIKeyJYVUVOHSCPXFKS-UHFFFAOYSA-N
XLogP2.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 80508145
5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide
CID 106494553
5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
CID 80514008
5,6-diethyl-3-(oxolan-2-ylmethylamino)pyridazine-4-carbothioamide
CID 80512337
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
[5,6-diethyl-3-(2-ethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80507595
5,6-diethyl-3-(oxan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517737
2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494963
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829
5-iodo-4-(oxolan-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 106495323

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine (CID 106495006) is [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine is CCc1nnc(SCC2CCCO2)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine?
The InChIKey is JYVUVOHSCPXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-11-12(8-15)14(17-16-13(11)4-2)19-9-10-6-5-7-18-10/h10H,3-9,15H2,1-2H3.
What are the key properties of [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 106495006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).