2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide

C16H17N7O3 — CID 90517634

IUPAC2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCn1ncccc1=O)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C16H17N7O3/c1-12(16(26)17-9-11-22-14(24)4-2-7-19-22)23-15(25)6-5-13(20-23)21-10-3-8-18-21/h2-8,10,12H,9,11H2,1H3,(H,17,26)
InChIKeyRVRQSIYNALCOFD-UHFFFAOYSA-N
MW355.36 g/mol
LogP-0.64
Rot. Bonds6

About 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide

2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide (PubChem CID 90517634) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide
PubChem CID90517634
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCn1ncccc1=O)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C16H17N7O3/c1-12(16(26)17-9-11-22-14(24)4-2-7-19-22)23-15(25)6-5-13(20-23)21-10-3-8-18-21/h2-8,10,12H,9,11H2,1H3,(H,17,26)
InChIKeyRVRQSIYNALCOFD-UHFFFAOYSA-N
XLogP-0.64
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide (CID 90517634) is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide is CC(C(=O)NCCn1ncccc1=O)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide?
The InChIKey is RVRQSIYNALCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-12(16(26)17-9-11-22-14(24)4-2-7-19-22)23-15(25)6-5-13(20-23)21-10-3-8-18-21/h2-8,10,12H,9,11H2,1H3,(H,17,26).
What are the key properties of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide?
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide has a molecular weight of 355.36 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[2-(6-oxopyridazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 90517634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).