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

C10H12ClN3O — CID 6459907

IUPACN-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCNCc1nc(-c2ccccc2)no1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-11-7-9-12-10(13-14-9)8-5-3-2-4-6-8;/h2-6,11H,7H2,1H3;1H
InChIKeyCGMVWQUXJQHUJK-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.88
Rot. Bonds3

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

N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (PubChem CID 6459907) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
PubChem CID6459907
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCNCc1nc(-c2ccccc2)no1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-11-7-9-12-10(13-14-9)8-5-3-2-4-6-8;/h2-6,11H,7H2,1H3;1H
InChIKeyCGMVWQUXJQHUJK-UHFFFAOYSA-N
XLogP1.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.88
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-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (CID 6459907) is N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is CNCc1nc(-c2ccccc2)no1.Cl.
What is the InChIKey of N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is CGMVWQUXJQHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c1-11-7-9-12-10(13-14-9)8-5-3-2-4-6-8;/h2-6,11H,7H2,1H3;1H.
What are the key properties of N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 6459907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).