[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine

C16H25N5 — CID 80508286

IUPAC[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(-n2nc(C)c(CC)c2C)c(CN)c1CC
InChIInChI=1S/C16H25N5/c1-6-12-10(4)20-21(11(12)5)16-14(9-17)13(7-2)15(8-3)18-19-16/h6-9,17H2,1-5H3
InChIKeyHUXUBFVQWMJTLT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.43
Rot. Bonds5

About [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine (PubChem CID 80508286) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine
PubChem CID80508286
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(-n2nc(C)c(CC)c2C)c(CN)c1CC
InChIInChI=1S/C16H25N5/c1-6-12-10(4)20-21(11(12)5)16-14(9-17)13(7-2)15(8-3)18-19-16/h6-9,17H2,1-5H3
InChIKeyHUXUBFVQWMJTLT-UHFFFAOYSA-N
XLogP2.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine (CID 80508286) is [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine is CCc1nnc(-n2nc(C)c(CC)c2C)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine?
The InChIKey is HUXUBFVQWMJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-6-12-10(4)20-21(11(12)5)16-14(9-17)13(7-2)15(8-3)18-19-16/h6-9,17H2,1-5H3.
What are the key properties of [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80508286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).