N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine

C13H17ClN4S — CID 62281503

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
SMILESCCNCc1ccc(N(C)Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C13H17ClN4S/c1-3-15-8-10-4-7-13(17-16-10)18(2)9-11-5-6-12(14)19-11/h4-7,15H,3,8-9H2,1-2H3
InChIKeyXSGCGFKHYPESLS-UHFFFAOYSA-N
MW296.83 g/mol
LogP2.94
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine

N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine (PubChem CID 62281503) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
PubChem CID62281503
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
SMILESCCNCc1ccc(N(C)Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C13H17ClN4S/c1-3-15-8-10-4-7-13(17-16-10)18(2)9-11-5-6-12(14)19-11/h4-7,15H,3,8-9H2,1-2H3
InChIKeyXSGCGFKHYPESLS-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 61442067
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
N,N-diethyl-6-(ethylaminomethyl)pyridazin-3-amine
CID 62286106
2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 78918157
N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194460
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62280461
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine (CID 62281503) is N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine is CCNCc1ccc(N(C)Cc2ccc(Cl)s2)nn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine?
The InChIKey is XSGCGFKHYPESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-3-15-8-10-4-7-13(17-16-10)18(2)9-11-5-6-12(14)19-11/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine?
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine has a molecular weight of 296.83 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 62281503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).