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

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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).