4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine

C12H12BrN3O — CID 117106715

IUPAC4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccccc1Cc1cc(Br)c(N)nn1
InChIInChI=1S/C12H12BrN3O/c1-17-11-5-3-2-4-8(11)6-9-7-10(13)12(14)16-15-9/h2-5,7H,6H2,1H3,(H2,14,16)
InChIKeyRONABJLTUXRILT-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.42
Rot. Bonds3

About 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine

4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 117106715) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID117106715
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccccc1Cc1cc(Br)c(N)nn1
InChIInChI=1S/C12H12BrN3O/c1-17-11-5-3-2-4-8(11)6-9-7-10(13)12(14)16-15-9/h2-5,7H,6H2,1H3,(H2,14,16)
InChIKeyRONABJLTUXRILT-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-5-bromopyridazin-3-yl)methyl]phenol
CID 117106714
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594
6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
4-[(2-methoxyphenyl)methyl]-1,2,5-oxadiazol-3-amine
CID 112716837
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
CID 68554779
3-[(2-methoxyphenyl)methyl]-1,2-oxazole
CID 174471268
4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine
CID 117106723
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
3-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146380303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine (CID 117106715) is 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine is COc1ccccc1Cc1cc(Br)c(N)nn1.
What is the InChIKey of 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is RONABJLTUXRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-11-5-3-2-4-8(11)6-9-7-10(13)12(14)16-15-9/h2-5,7H,6H2,1H3,(H2,14,16).
What are the key properties of 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine?
4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 294.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117106715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).