3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

C13H19N5O — CID 104672324

IUPAC3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCc1nnc(C)cc1-c1nnc(CCCNC)o1
InChIInChI=1S/C13H19N5O/c1-4-11-10(8-9(2)15-16-11)13-18-17-12(19-13)6-5-7-14-3/h8,14H,4-7H2,1-3H3
InChIKeyUDAVPVJFZBPMOU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.55
Rot. Bonds6

About 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 104672324) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID104672324
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCc1nnc(C)cc1-c1nnc(CCCNC)o1
InChIInChI=1S/C13H19N5O/c1-4-11-10(8-9(2)15-16-11)13-18-17-12(19-13)6-5-7-14-3/h8,14H,4-7H2,1-3H3
InChIKeyUDAVPVJFZBPMOU-UHFFFAOYSA-N
XLogP1.55
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086
N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62139085
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039360
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 104672369
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62139451
N-methyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152298
3-[5-(4-bromo-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 113396982

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 104672324) is 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CCc1nnc(C)cc1-c1nnc(CCCNC)o1.
What is the InChIKey of 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is UDAVPVJFZBPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-11-10(8-9(2)15-16-11)13-18-17-12(19-13)6-5-7-14-3/h8,14H,4-7H2,1-3H3.
What are the key properties of 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 104672324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).