N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C16H16N6O2 — CID 122280182

IUPACN-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc2n[nH]nc2c1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H16N6O2/c1-9(22-15(23)7-10-3-2-4-12(10)20-22)16(24)17-11-5-6-13-14(8-11)19-21-18-13/h5-9H,2-4H2,1H3,(H,17,24)(H,18,19,21)
InChIKeyLTKDQOXZCTYBAC-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.20
Rot. Bonds3

About N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280182) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280182
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc2n[nH]nc2c1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H16N6O2/c1-9(22-15(23)7-10-3-2-4-12(10)20-22)16(24)17-11-5-6-13-14(8-11)19-21-18-13/h5-9H,2-4H2,1H3,(H,17,24)(H,18,19,21)
InChIKeyLTKDQOXZCTYBAC-UHFFFAOYSA-N
XLogP1.20
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280182) is N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)Nc1ccc2n[nH]nc2c1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is LTKDQOXZCTYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9(22-15(23)7-10-3-2-4-12(10)20-22)16(24)17-11-5-6-13-14(8-11)19-21-18-13/h5-9H,2-4H2,1H3,(H,17,24)(H,18,19,21).
What are the key properties of N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).