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

C5H9N3O — CID 91805994

IUPACN,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine
SMILESCN(C)Cc1ncno1
InChIInChI=1S/C5H9N3O/c1-8(2)3-5-6-4-7-9-5/h4H,3H2,1-2H3
InChIKeyRIACLIOUHJWMRQ-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.13
Rot. Bonds2

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

N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 91805994) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine
PubChem CID91805994
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine
SMILESCN(C)Cc1ncno1
InChIInChI=1S/C5H9N3O/c1-8(2)3-5-6-4-7-9-5/h4H,3H2,1-2H3
InChIKeyRIACLIOUHJWMRQ-UHFFFAOYSA-N
XLogP0.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine (CID 91805994) is N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine is CN(C)Cc1ncno1.
What is the InChIKey of N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is RIACLIOUHJWMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8(2)3-5-6-4-7-9-5/h4H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine?
N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 127.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 91805994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).