N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

C13H16BrN3OS — CID 103374783

IUPACN-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)nn1)c1cscc1Br
InChIInChI=1S/C13H16BrN3OS/c1-3-6-15-13(9-7-19-8-10(9)14)11-4-5-12(18-2)17-16-11/h4-5,7-8,13,15H,3,6H2,1-2H3
InChIKeyYCSAANWFXFKOMD-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.40
Rot. Bonds6

About N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (PubChem CID 103374783) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
PubChem CID103374783
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC NameN-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)nn1)c1cscc1Br
InChIInChI=1S/C13H16BrN3OS/c1-3-6-15-13(9-7-19-8-10(9)14)11-4-5-12(18-2)17-16-11/h4-5,7-8,13,15H,3,6H2,1-2H3
InChIKeyYCSAANWFXFKOMD-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375712
N-[(4-bromothiophen-3-yl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530960
N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374840
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105010612
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
N-[(6-methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 103374682
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852
N-[(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 105010456
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (CID 103374783) is N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC)nn1)c1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is YCSAANWFXFKOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-3-6-15-13(9-7-19-8-10(9)14)11-4-5-12(18-2)17-16-11/h4-5,7-8,13,15H,3,6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 342.26 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103374783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).