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

C12H12BrN3O — CID 117106594

IUPAC4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1cccc(Cc2cc(Br)c(N)nn2)c1
InChIInChI=1S/C12H12BrN3O/c1-17-10-4-2-3-8(6-10)5-9-7-11(13)12(14)16-15-9/h2-4,6-7H,5H2,1H3,(H2,14,16)
InChIKeyJRJQIQBWWLQLIE-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.42
Rot. Bonds3

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

4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 117106594) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID117106594
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1cccc(Cc2cc(Br)c(N)nn2)c1
InChIInChI=1S/C12H12BrN3O/c1-17-10-4-2-3-8(6-10)5-9-7-11(13)12(14)16-15-9/h2-4,6-7H,5H2,1H3,(H2,14,16)
InChIKeyJRJQIQBWWLQLIE-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-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
2-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223597
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
2-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 82223522
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
(3-methoxyphenyl)methanethiol
CID 10749403
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine (CID 117106594) is 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine is COc1cccc(Cc2cc(Br)c(N)nn2)c1.
What is the InChIKey of 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is JRJQIQBWWLQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-10-4-2-3-8(6-10)5-9-7-11(13)12(14)16-15-9/h2-4,6-7H,5H2,1H3,(H2,14,16).
What are the key properties of 4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
4-bromo-6-[(3-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-[(3-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117106594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).