2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide

C12H18N4O2 — CID 55168933

IUPAC2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C12H18N4O2/c1-2-4-14-11(17)8-16-12(18)6-9-7-13-5-3-10(9)15-16/h6,13H,2-5,7-8H2,1H3,(H,14,17)
InChIKeyTYDZWBWUDGOTHT-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.58
Rot. Bonds4

About 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide

2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide (PubChem CID 55168933) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide
PubChem CID55168933
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C12H18N4O2/c1-2-4-14-11(17)8-16-12(18)6-9-7-13-5-3-10(9)15-16/h6,13H,2-5,7-8H2,1H3,(H,14,17)
InChIKeyTYDZWBWUDGOTHT-UHFFFAOYSA-N
XLogP-0.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide (CID 55168933) is 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide is CCCNC(=O)Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide?
The InChIKey is TYDZWBWUDGOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-4-14-11(17)8-16-12(18)6-9-7-13-5-3-10(9)15-16/h6,13H,2-5,7-8H2,1H3,(H,14,17).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide?
2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide has a molecular weight of 250.30 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)-N-propylacetamide is sourced from PubChem (CID 55168933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).