6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine

C15H16BrN3O — CID 29126982

IUPAC6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
SMILESBrc1ccc(-c2ccc(NC[C@H]3CCCO3)nn2)cc1
InChIInChI=1S/C15H16BrN3O/c16-12-5-3-11(4-6-12)14-7-8-15(19-18-14)17-10-13-2-1-9-20-13/h3-8,13H,1-2,9-10H2,(H,17,19)/t13-/m1/s1
InChIKeyYLQYTUVIBBKWOB-CYBMUJFWSA-N
MW334.22 g/mol
LogP3.50
Rot. Bonds4

About 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine

6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine (PubChem CID 29126982) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
PubChem CID29126982
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
SMILESBrc1ccc(-c2ccc(NC[C@H]3CCCO3)nn2)cc1
InChIInChI=1S/C15H16BrN3O/c16-12-5-3-11(4-6-12)14-7-8-15(19-18-14)17-10-13-2-1-9-20-13/h3-8,13H,1-2,9-10H2,(H,17,19)/t13-/m1/s1
InChIKeyYLQYTUVIBBKWOB-CYBMUJFWSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine (CID 29126982) is 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine is Brc1ccc(-c2ccc(NC[C@H]3CCCO3)nn2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
The InChIKey is YLQYTUVIBBKWOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-12-5-3-11(4-6-12)14-7-8-15(19-18-14)17-10-13-2-1-9-20-13/h3-8,13H,1-2,9-10H2,(H,17,19)/t13-/m1/s1.
What are the key properties of 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine?
6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine has a molecular weight of 334.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 29126982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).