4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine

C13H15BrN4 — CID 80508839

IUPAC4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine
SMILESCN(Cc1ccc(Br)cc1)c1nnccc1CN
InChIInChI=1S/C13H15BrN4/c1-18(9-10-2-4-12(14)5-3-10)13-11(8-15)6-7-16-17-13/h2-7H,8-9,15H2,1H3
InChIKeyZFPFFMQYVIMJKM-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.33
Rot. Bonds4

About 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine

4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine (PubChem CID 80508839) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine
PubChem CID80508839
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine
SMILESCN(Cc1ccc(Br)cc1)c1nnccc1CN
InChIInChI=1S/C13H15BrN4/c1-18(9-10-2-4-12(14)5-3-10)13-11(8-15)6-7-16-17-13/h2-7H,8-9,15H2,1H3
InChIKeyZFPFFMQYVIMJKM-UHFFFAOYSA-N
XLogP2.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 80507368
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
CID 80508911
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
4-(aminomethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 80507616
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 80507438
4-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 80507638
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80507390
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methylpyridazin-3-amine
CID 80507556
4-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridazin-3-amine
CID 80509129
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 80509001
4-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 80507508

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine (CID 80508839) is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine is CN(Cc1ccc(Br)cc1)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine?
The InChIKey is ZFPFFMQYVIMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-18(9-10-2-4-12(14)5-3-10)13-11(8-15)6-7-16-17-13/h2-7H,8-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine?
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine has a molecular weight of 307.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 80508839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).