6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine

C12H9BrN4O — CID 178167058

IUPAC6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
SMILESCNc1cnnc(-c2noc3c(Br)cccc23)c1
InChIInChI=1S/C12H9BrN4O/c1-14-7-5-10(16-15-6-7)11-8-3-2-4-9(13)12(8)18-17-11/h2-6H,1H3,(H,14,16)
InChIKeyQURAZVRVOIPEHO-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.09
Rot. Bonds2

About 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine

6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine (PubChem CID 178167058) has the molecular formula C12H9BrN4O and a molecular weight of 305.13 g/mol. Its IUPAC name is 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine.

Molecular Properties

Compound Name6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
PubChem CID178167058
Molecular FormulaC12H9BrN4O
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
SMILESCNc1cnnc(-c2noc3c(Br)cccc23)c1
InChIInChI=1S/C12H9BrN4O/c1-14-7-5-10(16-15-6-7)11-8-3-2-4-9(13)12(8)18-17-11/h2-6H,1H3,(H,14,16)
InChIKeyQURAZVRVOIPEHO-UHFFFAOYSA-N
XLogP3.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
CID 178166981
7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
CID 84708451
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
7-bromo-3-(fluoromethyl)-1,2-benzoxazole
CID 84693211
7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
CID 84707795
7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559
4-bromo-N-methyl-2,1-benzoxazol-3-amine
CID 83803903
[1-[2-(7-bromo-1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethyl]carbamic acid
CID 66848246
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
3-bromo-7-methyl-1,2-benzoxazole
CID 83835183
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
7-bromo-N-(5-ethyl-2-methoxyphenyl)sulfanyl-1,2-benzoxazol-3-amine
CID 153376407

Frequently Asked Questions

What is the IUPAC name of 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine?
The IUPAC name of 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine (CID 178167058) is 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine.
What is the SMILES notation for 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine?
The canonical SMILES for 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine is CNc1cnnc(-c2noc3c(Br)cccc23)c1.
What is the InChIKey of 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine?
The InChIKey is QURAZVRVOIPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c1-14-7-5-10(16-15-6-7)11-8-3-2-4-9(13)12(8)18-17-11/h2-6H,1H3,(H,14,16).
What are the key properties of 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine?
6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine has a molecular weight of 305.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine is sourced from PubChem (CID 178167058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).