1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine

C13H22N6O — CID 104635656

IUPAC1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cnn(C)c2C)n1
InChIInChI=1S/C13H22N6O/c1-5-19(6-2)8-11(14)12-16-13(20-17-12)10-7-15-18(4)9(10)3/h7,11H,5-6,8,14H2,1-4H3
InChIKeyOARXSJXJAZPWLV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.12
Rot. Bonds6

About 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine

1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 104635656) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID104635656
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(-c2cnn(C)c2C)n1
InChIInChI=1S/C13H22N6O/c1-5-19(6-2)8-11(14)12-16-13(20-17-12)10-7-15-18(4)9(10)3/h7,11H,5-6,8,14H2,1-4H3
InChIKeyOARXSJXJAZPWLV-UHFFFAOYSA-N
XLogP1.12
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 102802227
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635449
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635621
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096462
3-(1-chlorobutyl)-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103096002
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
1-[5-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635460
N',N'-diethyl-1-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 107965441
1-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635553
N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635674

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine (CID 104635656) is 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CC(N)c1noc(-c2cnn(C)c2C)n1.
What is the InChIKey of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is OARXSJXJAZPWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-5-19(6-2)8-11(14)12-16-13(20-17-12)10-7-15-18(4)9(10)3/h7,11H,5-6,8,14H2,1-4H3.
What are the key properties of 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine?
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 104635656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).