3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide

C12H19N5O2 — CID 56910372

IUPAC3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCN1CCN(c2cnn(CCC(N)=O)c(=O)c2)CC1
InChIInChI=1S/C12H19N5O2/c1-15-4-6-16(7-5-15)10-8-12(19)17(14-9-10)3-2-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)
InChIKeyVOIHVAHTKDUVSK-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.13
Rot. Bonds4

About 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide

3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 56910372) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID56910372
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCN1CCN(c2cnn(CCC(N)=O)c(=O)c2)CC1
InChIInChI=1S/C12H19N5O2/c1-15-4-6-16(7-5-15)10-8-12(19)17(14-9-10)3-2-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)
InChIKeyVOIHVAHTKDUVSK-UHFFFAOYSA-N
XLogP-1.13
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide (CID 56910372) is 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide is CN1CCN(c2cnn(CCC(N)=O)c(=O)c2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is VOIHVAHTKDUVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15-4-6-16(7-5-15)10-8-12(19)17(14-9-10)3-2-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide?
3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 265.32 g/mol, XLogP of -1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 56910372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).