N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine

C6H12N4O — CID 104635266

IUPACN',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
SMILESCN(C)CC(N)c1ncon1
InChIInChI=1S/C6H12N4O/c1-10(2)3-5(7)6-8-4-11-9-6/h4-5H,3,7H2,1-2H3
InChIKeyCNGFZONHXCHHDR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.37
Rot. Bonds3

About N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine

N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine (PubChem CID 104635266) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
PubChem CID104635266
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
SMILESCN(C)CC(N)c1ncon1
InChIInChI=1S/C6H12N4O/c1-10(2)3-5(7)6-8-4-11-9-6/h4-5H,3,7H2,1-2H3
InChIKeyCNGFZONHXCHHDR-UHFFFAOYSA-N
XLogP-0.37
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
CID 93243184
1-(1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096089
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 107974503
1-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635308
N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 114022913
N',N'-dimethyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635334
1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635319
N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635396
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635185
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
(R)-1,2,4-oxadiazol-3-yl(phenyl)methanamine
CID 93243058
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine (CID 104635266) is N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine is CN(C)CC(N)c1ncon1.
What is the InChIKey of N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
The InChIKey is CNGFZONHXCHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10(2)3-5(7)6-8-4-11-9-6/h4-5H,3,7H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine?
N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine has a molecular weight of 156.19 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104635266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).