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

C6H12ClN3O — CID 44561711

IUPACN,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nonc1CN(C)C.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-5-6(4-9(2)3)8-10-7-5;/h4H2,1-3H3;1H
InChIKeyLITJYISRJHPGID-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.86
Rot. Bonds2

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

N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 44561711) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID44561711
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC NameN,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nonc1CN(C)C.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-5-6(4-9(2)3)8-10-7-5;/h4H2,1-3H3;1H
InChIKeyLITJYISRJHPGID-UHFFFAOYSA-N
XLogP0.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride (CID 44561711) is N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride is Cc1nonc1CN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is LITJYISRJHPGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-5-6(4-9(2)3)8-10-7-5;/h4H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.86, 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-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 44561711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).