4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide

C12H16ClN5O2 — CID 118740527

IUPAC4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C12H16ClN5O2/c1-8(2)14-12(20)17-5-6-18(11(19)7-17)10-4-3-9(13)15-16-10/h3-4,8H,5-7H2,1-2H3,(H,14,20)
InChIKeyVFNWOQNSCBHJFB-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.90
Rot. Bonds2

About 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide

4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 118740527) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID118740527
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C12H16ClN5O2/c1-8(2)14-12(20)17-5-6-18(11(19)7-17)10-4-3-9(13)15-16-10/h3-4,8H,5-7H2,1-2H3,(H,14,20)
InChIKeyVFNWOQNSCBHJFB-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide (CID 118740527) is 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is VFNWOQNSCBHJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-8(2)14-12(20)17-5-6-18(11(19)7-17)10-4-3-9(13)15-16-10/h3-4,8H,5-7H2,1-2H3,(H,14,20).
What are the key properties of 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide?
4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 118740527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).