3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

C16H19N5O2 — CID 67466102

IUPAC3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN1CCN(c2nc3ccc(C4=NNC(=O)CC4)cc3o2)CC1
InChIInChI=1S/C16H19N5O2/c1-20-6-8-21(9-7-20)16-17-13-3-2-11(10-14(13)23-16)12-4-5-15(22)19-18-12/h2-3,10H,4-9H2,1H3,(H,19,22)
InChIKeyONQJAHPGSXJCAC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.19
Rot. Bonds2

About 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67466102) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67466102
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN1CCN(c2nc3ccc(C4=NNC(=O)CC4)cc3o2)CC1
InChIInChI=1S/C16H19N5O2/c1-20-6-8-21(9-7-20)16-17-13-3-2-11(10-14(13)23-16)12-4-5-15(22)19-18-12/h2-3,10H,4-9H2,1H3,(H,19,22)
InChIKeyONQJAHPGSXJCAC-UHFFFAOYSA-N
XLogP1.19
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 67466102) is 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is CN1CCN(c2nc3ccc(C4=NNC(=O)CC4)cc3o2)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ONQJAHPGSXJCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-6-8-21(9-7-20)16-17-13-3-2-11(10-14(13)23-16)12-4-5-15(22)19-18-12/h2-3,10H,4-9H2,1H3,(H,19,22).
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 313.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67466102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).