1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C17H20Cl2N6O — CID 120850893

IUPAC1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H19ClN6O.ClH/c1-2-13-14(21-23-24(13)12-7-5-6-11(18)10-12)15-20-16(22-25-15)17(19)8-3-4-9-17;/h5-7,10H,2-4,8-9,19H2,1H3;1H
InChIKeyQFDLZDIUDHICPL-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.68
Rot. Bonds4

About 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120850893) has the molecular formula C17H20Cl2N6O and a molecular weight of 395.29 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120850893
Molecular FormulaC17H20Cl2N6O
Molecular Weight395.29 g/mol
Exact Mass394.11
IUPAC Name1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H19ClN6O.ClH/c1-2-13-14(21-23-24(13)12-7-5-6-11(18)10-12)15-20-16(22-25-15)17(19)8-3-4-9-17;/h5-7,10H,2-4,8-9,19H2,1H3;1H
InChIKeyQFDLZDIUDHICPL-UHFFFAOYSA-N
XLogP3.68
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858902
1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859942
1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850498
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-(1-benzyl-5-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851448
1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857271
1-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431480
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852613
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120850893) is 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is QFDLZDIUDHICPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O.ClH/c1-2-13-14(21-23-24(13)12-7-5-6-11(18)10-12)15-20-16(22-25-15)17(19)8-3-4-9-17;/h5-7,10H,2-4,8-9,19H2,1H3;1H.
What are the key properties of 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 395.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120850893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).