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

C12H19ClN6O — CID 122507912

IUPAC2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(Cl)nnc2N)C[C@H]1C
InChIInChI=1S/C12H19ClN6O/c1-8-6-19(4-3-18(8)7-11(20)15-2)9-5-10(13)16-17-12(9)14/h5,8H,3-4,6-7H2,1-2H3,(H2,14,17)(H,15,20)/t8-/m1/s1
InChIKeyUANGFGXEURDGHA-MRVPVSSYSA-N
MW298.78 g/mol
LogP-0.03
Rot. Bonds3

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

2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide (PubChem CID 122507912) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide
PubChem CID122507912
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC Name2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(Cl)nnc2N)C[C@H]1C
InChIInChI=1S/C12H19ClN6O/c1-8-6-19(4-3-18(8)7-11(20)15-2)9-5-10(13)16-17-12(9)14/h5,8H,3-4,6-7H2,1-2H3,(H2,14,17)(H,15,20)/t8-/m1/s1
InChIKeyUANGFGXEURDGHA-MRVPVSSYSA-N
XLogP-0.03
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide (CID 122507912) is 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(Cl)nnc2N)C[C@H]1C.
What is the InChIKey of 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is UANGFGXEURDGHA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-8-6-19(4-3-18(8)7-11(20)15-2)9-5-10(13)16-17-12(9)14/h5,8H,3-4,6-7H2,1-2H3,(H2,14,17)(H,15,20)/t8-/m1/s1.
What are the key properties of 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide?
2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 298.78 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 122507912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).