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

C5H9N3O — CID 5200324

IUPACN-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
SMILESCNCc1nonc1C
InChIInChI=1S/C5H9N3O/c1-4-5(3-6-2)8-9-7-4/h6H,3H2,1-2H3
InChIKeyZKIQDRNNXDSBAF-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.10
Rot. Bonds2

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

N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine (PubChem CID 5200324) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
PubChem CID5200324
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
SMILESCNCc1nonc1C
InChIInChI=1S/C5H9N3O/c1-4-5(3-6-2)8-9-7-4/h6H,3H2,1-2H3
InChIKeyZKIQDRNNXDSBAF-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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Related Compounds

(4-Methyl-1,2,5-oxadiazol-3-yl)methanamine
CID 565861
1-(4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride
CID 50998980
1-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)piperazine
CID 6483748
N,N-dimethyl-1-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methanamine;hydrochloride
CID 44561656
N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
CID 44561711
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 815001
N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine
CID 44561712
N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine
CID 5200352
N,N-dimethyl-1-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methanamine
CID 44561657
3,3,3-trifluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-1-amine
CID 64063453
2,2,2-trifluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 64063840
4,4,4-trifluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]butan-2-amine
CID 105935764

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine (CID 5200324) is N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine is CNCc1nonc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine?
The InChIKey is ZKIQDRNNXDSBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-5(3-6-2)8-9-7-4/h6H,3H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine?
N-methyl-1-(4-methyl-1,2,5-oxadiazol-3-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-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 5200324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).