ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

C6H13N3O — CID 143984808

IUPACethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC.Cc1nc(CN)no1
InChIInChI=1S/C4H7N3O.C2H6/c1-3-6-4(2-5)7-8-3;1-2/h2,5H2,1H3;1-2H3
InChIKeyGVLYMAPGCZESHE-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.86
Rot. Bonds1

About ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 143984808) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Nameethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID143984808
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Nameethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC.Cc1nc(CN)no1
InChIInChI=1S/C4H7N3O.C2H6/c1-3-6-4(2-5)7-8-3;1-2/h2,5H2,1H3;1-2H3
InChIKeyGVLYMAPGCZESHE-UHFFFAOYSA-N
XLogP0.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
CID 163469065
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 163277320
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 106419327

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 143984808) is ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is CC.Cc1nc(CN)no1.
What is the InChIKey of ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is GVLYMAPGCZESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.C2H6/c1-3-6-4(2-5)7-8-3;1-2/h2,5H2,1H3;1-2H3.
What are the key properties of ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 143.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 143984808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).