N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride

C15H18Cl2N4OS — CID 119498507

IUPACN-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(Sc2ccccc2Cl)nn1.Cl
InChIInChI=1S/C15H17ClN4OS.ClH/c1-10(17)8-9-18-15(21)12-6-7-14(20-19-12)22-13-5-3-2-4-11(13)16;/h2-7,10H,8-9,17H2,1H3,(H,18,21);1H
InChIKeyRNMXHGLTFQJSOA-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.17
Rot. Bonds6

About N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride

N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride (PubChem CID 119498507) has the molecular formula C15H18Cl2N4OS and a molecular weight of 373.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
PubChem CID119498507
Molecular FormulaC15H18Cl2N4OS
Molecular Weight373.31 g/mol
Exact Mass372.06
IUPAC NameN-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(Sc2ccccc2Cl)nn1.Cl
InChIInChI=1S/C15H17ClN4OS.ClH/c1-10(17)8-9-18-15(21)12-6-7-14(20-19-12)22-13-5-3-2-4-11(13)16;/h2-7,10H,8-9,17H2,1H3,(H,18,21);1H
InChIKeyRNMXHGLTFQJSOA-UHFFFAOYSA-N
XLogP3.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900
6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide
CID 166218912
N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide
CID 71871538
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
CID 102562430
[2-(aminomethyl)pyrrolidin-1-yl]-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone;hydrochloride
CID 119633725
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492330
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride (CID 119498507) is N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1ccc(Sc2ccccc2Cl)nn1.Cl.
What is the InChIKey of N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride?
The InChIKey is RNMXHGLTFQJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS.ClH/c1-10(17)8-9-18-15(21)12-6-7-14(20-19-12)22-13-5-3-2-4-11(13)16;/h2-7,10H,8-9,17H2,1H3,(H,18,21);1H.
What are the key properties of N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride has a molecular weight of 373.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119498507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).