6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine

C11H12BrN3S — CID 79601587

IUPAC6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine
SMILESCNc1nnc(-c2cscc2Br)c(C)c1C
InChIInChI=1S/C11H12BrN3S/c1-6-7(2)11(13-3)15-14-10(6)8-4-16-5-9(8)12/h4-5H,1-3H3,(H,13,15)
InChIKeyPSYREVQIPKDJDN-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.63
Rot. Bonds2

About 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine

6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine (PubChem CID 79601587) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine
PubChem CID79601587
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine
SMILESCNc1nnc(-c2cscc2Br)c(C)c1C
InChIInChI=1S/C11H12BrN3S/c1-6-7(2)11(13-3)15-14-10(6)8-4-16-5-9(8)12/h4-5H,1-3H3,(H,13,15)
InChIKeyPSYREVQIPKDJDN-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine (CID 79601587) is 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine is CNc1nnc(-c2cscc2Br)c(C)c1C.
What is the InChIKey of 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is PSYREVQIPKDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-6-7(2)11(13-3)15-14-10(6)8-4-16-5-9(8)12/h4-5H,1-3H3,(H,13,15).
What are the key properties of 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine?
6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine has a molecular weight of 298.21 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-3-yl)-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 79601587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).