1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride

C7H12ClN3O — CID 86261805

IUPAC1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1nc(C2CC2)no1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-8-4-6-9-7(10-11-6)5-2-3-5;/h5,8H,2-4H2,1H3;1H
InChIKeyMUIBEMTZPILOMP-UHFFFAOYSA-N
MW189.65 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride (PubChem CID 86261805) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
PubChem CID86261805
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1nc(C2CC2)no1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-8-4-6-9-7(10-11-6)5-2-3-5;/h5,8H,2-4H2,1H3;1H
InChIKeyMUIBEMTZPILOMP-UHFFFAOYSA-N
XLogP1.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115080984
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
1-[3,5-dibromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741811
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65422880
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
CID 47283180
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 64982225

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride (CID 86261805) is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride is CNCc1nc(C2CC2)no1.Cl.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is MUIBEMTZPILOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-8-4-6-9-7(10-11-6)5-2-3-5;/h5,8H,2-4H2,1H3;1H.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 86261805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).