[3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine

C14H17ClN4S — CID 80514814

IUPAC[3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Sc2ccc(Cl)cn2)c(CN)c1CC
InChIInChI=1S/C14H17ClN4S/c1-3-10-11(7-16)14(19-18-12(10)4-2)20-13-6-5-9(15)8-17-13/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyNAULWRPPLOAULM-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.26
Rot. Bonds5

About [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine

[3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine (PubChem CID 80514814) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine
PubChem CID80514814
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name[3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Sc2ccc(Cl)cn2)c(CN)c1CC
InChIInChI=1S/C14H17ClN4S/c1-3-10-11(7-16)14(19-18-12(10)4-2)20-13-6-5-9(15)8-17-13/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyNAULWRPPLOAULM-UHFFFAOYSA-N
XLogP3.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine with MolForge

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Related Compounds

3-((2-Chloro-6-fluorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
CID 7207491
3-(4-Chloro-phenyl)-6-(pyridin-2-ylmethylsulfanyl)-pyridazine
CID 3227974
3-((3-Chlorobenzyl)thio)-6-(pyridin-2-yl)pyridazine
CID 20900509
3-((3-Chlorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
CID 7207488
3-((4-Chlorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
CID 7207490
3-((2-Chlorobenzyl)thio)-6-(pyridin-2-yl)pyridazine
CID 8699869
3-[1-(2-Chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56664964
3-[2-(2-Chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56675406
3-((4-Chlorobenzyl)thio)-6-(pyridin-2-yl)pyridazine
CID 7207489
3-((2-Chlorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
CID 7688161
3-[(2-Chlorophenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
CID 7688177
3-((2-Chloro-6-fluorobenzyl)thio)-6-(pyridin-4-yl)pyridazine
CID 7222544

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine (CID 80514814) is [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine is CCc1nnc(Sc2ccc(Cl)cn2)c(CN)c1CC.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine?
The InChIKey is NAULWRPPLOAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-3-10-11(7-16)14(19-18-12(10)4-2)20-13-6-5-9(15)8-17-13/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine?
[3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine has a molecular weight of 308.84 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)sulfanyl]-5,6-diethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 80514814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).