6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine

C15H17BrN4 — CID 116973496

IUPAC6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine
SMILESCN(c1ccc(-c2ccccc2Br)nn1)C1CCNC1
InChIInChI=1S/C15H17BrN4/c1-20(11-8-9-17-10-11)15-7-6-14(18-19-15)12-4-2-3-5-13(12)16/h2-7,11,17H,8-10H2,1H3
InChIKeyMTRHBCXUKGPXKJ-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.70
Rot. Bonds3

About 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine

6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine (PubChem CID 116973496) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine
PubChem CID116973496
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine
SMILESCN(c1ccc(-c2ccccc2Br)nn1)C1CCNC1
InChIInChI=1S/C15H17BrN4/c1-20(11-8-9-17-10-11)15-7-6-14(18-19-15)12-4-2-3-5-13(12)16/h2-7,11,17H,8-10H2,1H3
InChIKeyMTRHBCXUKGPXKJ-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine
CID 116973478
N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
CID 116973502
N,6-dimethyl-N-piperidin-3-ylpyridazin-3-amine
CID 63643935
6-chloro-N-methyl-N-piperidin-3-ylpyridazin-3-amine
CID 63642703
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,2-benzothiazol-3-amine;hydrochloride
CID 71641030
N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
CID 71641425
N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973535
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine?
The IUPAC name of 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine (CID 116973496) is 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine is CN(c1ccc(-c2ccccc2Br)nn1)C1CCNC1.
What is the InChIKey of 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine?
The InChIKey is MTRHBCXUKGPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c1-20(11-8-9-17-10-11)15-7-6-14(18-19-15)12-4-2-3-5-13(12)16/h2-7,11,17H,8-10H2,1H3.
What are the key properties of 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine?
6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine has a molecular weight of 333.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyridazin-3-amine is sourced from PubChem (CID 116973496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).