N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine

C12H16ClN5 — CID 62293226

IUPACN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(-n2nc(C)c(Cl)c2C)nn1
InChIInChI=1S/C12H16ClN5/c1-4-14-7-10-5-6-11(16-15-10)18-9(3)12(13)8(2)17-18/h5-6,14H,4,7H2,1-3H3
InChIKeyWPSJYXMPHSCEKJ-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.04
Rot. Bonds4

About N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine

N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 62293226) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine
PubChem CID62293226
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(-n2nc(C)c(Cl)c2C)nn1
InChIInChI=1S/C12H16ClN5/c1-4-14-7-10-5-6-11(16-15-10)18-9(3)12(13)8(2)17-18/h5-6,14H,4,7H2,1-3H3
InChIKeyWPSJYXMPHSCEKJ-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine (CID 62293226) is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(-n2nc(C)c(Cl)c2C)nn1.
What is the InChIKey of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is WPSJYXMPHSCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-14-7-10-5-6-11(16-15-10)18-9(3)12(13)8(2)17-18/h5-6,14H,4,7H2,1-3H3.
What are the key properties of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 265.75 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62293226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).