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

C5H9N3O — CID 25219498

IUPACN-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCNCc1nc(C)no1
InChIInChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3
InChIKeyDXORLLLAUZFWFF-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.10
Rot. Bonds2

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

N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 25219498) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID25219498
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCNCc1nc(C)no1
InChIInChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3
InChIKeyDXORLLLAUZFWFF-UHFFFAOYSA-N
XLogP0.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (CID 25219498) is N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is CNCc1nc(C)no1.
What is the InChIKey of N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is DXORLLLAUZFWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 127.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 25219498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).