5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one

C15H21N5O2 — CID 29029281

IUPAC5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one
SMILESCc1cc(Cn2ncc(N3CCCN(C)CC3)cc2=O)no1
InChIInChI=1S/C15H21N5O2/c1-12-8-13(17-22-12)11-20-15(21)9-14(10-16-20)19-5-3-4-18(2)6-7-19/h8-10H,3-7,11H2,1-2H3
InChIKeyRUUUKBYZLFCEHG-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.73
Rot. Bonds3

About 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one

5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one (PubChem CID 29029281) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one
PubChem CID29029281
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one
SMILESCc1cc(Cn2ncc(N3CCCN(C)CC3)cc2=O)no1
InChIInChI=1S/C15H21N5O2/c1-12-8-13(17-22-12)11-20-15(21)9-14(10-16-20)19-5-3-4-18(2)6-7-19/h8-10H,3-7,11H2,1-2H3
InChIKeyRUUUKBYZLFCEHG-UHFFFAOYSA-N
XLogP0.73
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one (CID 29029281) is 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one is Cc1cc(Cn2ncc(N3CCCN(C)CC3)cc2=O)no1.
What is the InChIKey of 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is RUUUKBYZLFCEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12-8-13(17-22-12)11-20-15(21)9-14(10-16-20)19-5-3-4-18(2)6-7-19/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one?
5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 303.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,4-diazepan-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 29029281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).