2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one

C12H15N5O2 — CID 72930044

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCc1nnc(Cn2ncc(N3CCCC3)cc2=O)o1
InChIInChI=1S/C12H15N5O2/c1-9-14-15-11(19-9)8-17-12(18)6-10(7-13-17)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3
InChIKeyHRLQQBDHDHVDHI-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.58
Rot. Bonds3

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72930044) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72930044
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCc1nnc(Cn2ncc(N3CCCC3)cc2=O)o1
InChIInChI=1S/C12H15N5O2/c1-9-14-15-11(19-9)8-17-12(18)6-10(7-13-17)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3
InChIKeyHRLQQBDHDHVDHI-UHFFFAOYSA-N
XLogP0.58
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397245
3-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]furan-2-carboxylic acid
CID 114393814
2-[(4-chloro-2-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395515
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 29257142
2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397339
2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396013
2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
2-[(2-chloro-3-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395520
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72930044) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is Cc1nnc(Cn2ncc(N3CCCC3)cc2=O)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is HRLQQBDHDHVDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-14-15-11(19-9)8-17-12(18)6-10(7-13-17)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 261.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72930044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).