1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C19H19N7O — CID 120857271

IUPAC1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc2cnccc12
InChIInChI=1S/C19H19N7O/c1-12-16(17-22-18(24-27-17)19(20)8-2-3-9-19)23-25-26(12)15-6-4-5-13-11-21-10-7-14(13)15/h4-7,10-11H,2-3,8-9,20H2,1H3
InChIKeyIJEGOIGAMDGTSF-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.90
Rot. Bonds3

About 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120857271) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120857271
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc2cnccc12
InChIInChI=1S/C19H19N7O/c1-12-16(17-22-18(24-27-17)19(20)8-2-3-9-19)23-25-26(12)15-6-4-5-13-11-21-10-7-14(13)15/h4-7,10-11H,2-3,8-9,20H2,1H3
InChIKeyIJEGOIGAMDGTSF-UHFFFAOYSA-N
XLogP2.90
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850893
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852333
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
[2-(aminomethyl)pyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119633171
[(3R)-3-aminopyrrolidin-1-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119411822
1,4-diazepan-1-yl-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119416900
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone
CID 166202199
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851364
1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859942

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120857271) is 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1c(-c2nc(C3(N)CCCC3)no2)nnn1-c1cccc2cnccc12.
What is the InChIKey of 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is IJEGOIGAMDGTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-16(17-22-18(24-27-17)19(20)8-2-3-9-19)23-25-26(12)15-6-4-5-13-11-21-10-7-14(13)15/h4-7,10-11H,2-3,8-9,20H2,1H3.
What are the key properties of 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 361.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120857271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).