N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine

C12H12BrN3 — CID 106549621

IUPACN-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCc2ccccc2Br)c1
InChIInChI=1S/C12H12BrN3/c1-9-6-12(16-15-7-9)14-8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,16)
InChIKeyGNMLECBAEBYJAU-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine

N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine (PubChem CID 106549621) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
PubChem CID106549621
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC NameN-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCc2ccccc2Br)c1
InChIInChI=1S/C12H12BrN3/c1-9-6-12(16-15-7-9)14-8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,16)
InChIKeyGNMLECBAEBYJAU-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridazin-3-amine
CID 106549558
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 106549855
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridazin-3-amine
CID 106549703
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
CID 107232489
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
CID 78988997
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridazin-3-amine
CID 106549913

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine (CID 106549621) is N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine is Cc1cnnc(NCc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine?
The InChIKey is GNMLECBAEBYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-6-12(16-15-7-9)14-8-10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine?
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine has a molecular weight of 278.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106549621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).