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

C4H8ClN3O — CID 71758163

IUPACN-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCNCc1ncon1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-5-2-4-6-3-8-7-4;/h3,5H,2H2,1H3;1H
InChIKeySVBYJDOQYSLVJZ-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.21
Rot. Bonds2

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

N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 71758163) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID71758163
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC NameN-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCNCc1ncon1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-5-2-4-6-3-8-7-4;/h3,5H,2H2,1H3;1H
InChIKeySVBYJDOQYSLVJZ-UHFFFAOYSA-N
XLogP0.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 71758163) is N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is CNCc1ncon1.Cl.
What is the InChIKey of N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is SVBYJDOQYSLVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-5-2-4-6-3-8-7-4;/h3,5H,2H2,1H3;1H.
What are the key properties of N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 71758163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).