N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine

C9H16N4O — CID 62687751

IUPACN'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1noc(C2CC2)n1
InChIInChI=1S/C9H16N4O/c1-13(5-4-10)6-8-11-9(14-12-8)7-2-3-7/h7H,2-6,10H2,1H3
InChIKeyJVSOOPLGNHLSTG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds5

About N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine

N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62687751) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62687751
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1noc(C2CC2)n1
InChIInChI=1S/C9H16N4O/c1-13(5-4-10)6-8-11-9(14-12-8)7-2-3-7/h7H,2-6,10H2,1H3
InChIKeyJVSOOPLGNHLSTG-UHFFFAOYSA-N
XLogP0.34
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
CID 61495568

Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine (CID 62687751) is N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1noc(C2CC2)n1.
What is the InChIKey of N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is JVSOOPLGNHLSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(5-4-10)6-8-11-9(14-12-8)7-2-3-7/h7H,2-6,10H2,1H3.
What are the key properties of N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62687751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).