2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide

C18H24N6O2 — CID 137045924

IUPAC2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C
InChIInChI=1S/C18H24N6O2/c1-12-10-24(8-7-23(12)11-17(26)20-2)15-9-14(21-22-18(15)19)13-5-3-4-6-16(13)25/h3-6,9,12,25H,7-8,10-11H2,1-2H3,(H2,19,22)(H,20,26)/t12-/m1/s1
InChIKeyJAPZFHUHQHAJME-GFCCVEGCSA-N
MW356.43 g/mol
LogP0.69
Rot. Bonds4

About 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide

2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide (PubChem CID 137045924) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide
PubChem CID137045924
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C
InChIInChI=1S/C18H24N6O2/c1-12-10-24(8-7-23(12)11-17(26)20-2)15-9-14(21-22-18(15)19)13-5-3-4-6-16(13)25/h3-6,9,12,25H,7-8,10-11H2,1-2H3,(H2,19,22)(H,20,26)/t12-/m1/s1
InChIKeyJAPZFHUHQHAJME-GFCCVEGCSA-N
XLogP0.69
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide (CID 137045924) is 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C.
What is the InChIKey of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is JAPZFHUHQHAJME-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-10-24(8-7-23(12)11-17(26)20-2)15-9-14(21-22-18(15)19)13-5-3-4-6-16(13)25/h3-6,9,12,25H,7-8,10-11H2,1-2H3,(H2,19,22)(H,20,26)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide?
2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 356.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 137045924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).