N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C10H16N6O — CID 114022913

IUPACN',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(-c2cn(C)cn2)n1
InChIInChI=1S/C10H16N6O/c1-15(2)4-7(11)9-13-10(17-14-9)8-5-16(3)6-12-8/h5-7H,4,11H2,1-3H3
InChIKeyVYMZBQNMZLWYBD-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.03
Rot. Bonds4

About N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 114022913) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID114022913
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(-c2cn(C)cn2)n1
InChIInChI=1S/C10H16N6O/c1-15(2)4-7(11)9-13-10(17-14-9)8-5-16(3)6-12-8/h5-7H,4,11H2,1-3H3
InChIKeyVYMZBQNMZLWYBD-UHFFFAOYSA-N
XLogP0.03
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 114022913) is N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CN(C)CC(N)c1noc(-c2cn(C)cn2)n1.
What is the InChIKey of N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is VYMZBQNMZLWYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15(2)4-7(11)9-13-10(17-14-9)8-5-16(3)6-12-8/h5-7H,4,11H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 236.28 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 114022913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).