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

C13H15ClN4 — CID 55054791

IUPAC6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(CN)nn1
InChIInChI=1S/C13H15ClN4/c1-18(9-10-2-4-11(14)5-3-10)13-7-6-12(8-15)16-17-13/h2-7H,8-9,15H2,1H3
InChIKeyFHQKTAXUQDBVDI-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.23
Rot. Bonds4

About 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine

6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine (PubChem CID 55054791) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
PubChem CID55054791
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(CN)nn1
InChIInChI=1S/C13H15ClN4/c1-18(9-10-2-4-11(14)5-3-10)13-7-6-12(8-15)16-17-13/h2-7H,8-9,15H2,1H3
InChIKeyFHQKTAXUQDBVDI-UHFFFAOYSA-N
XLogP2.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
The IUPAC name of 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine (CID 55054791) is 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine is CN(Cc1ccc(Cl)cc1)c1ccc(CN)nn1.
What is the InChIKey of 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
The InChIKey is FHQKTAXUQDBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18(9-10-2-4-11(14)5-3-10)13-7-6-12(8-15)16-17-13/h2-7H,8-9,15H2,1H3.
What are the key properties of 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine?
6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine has a molecular weight of 262.74 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 55054791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).