N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C15H23N5O2 — CID 122280034

IUPACN-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)NN1CCN(C)CC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C15H23N5O2/c1-11(15(22)17-19-8-6-18(2)7-9-19)20-14(21)10-12-4-3-5-13(12)16-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyQYAXWOBNJACULH-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.43
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280034) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280034
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)NN1CCN(C)CC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C15H23N5O2/c1-11(15(22)17-19-8-6-18(2)7-9-19)20-14(21)10-12-4-3-5-13(12)16-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyQYAXWOBNJACULH-UHFFFAOYSA-N
XLogP-0.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280034) is N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)NN1CCN(C)CC1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is QYAXWOBNJACULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(15(22)17-19-8-6-18(2)7-9-19)20-14(21)10-12-4-3-5-13(12)16-20/h10-11H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 305.38 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).