2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C15H27N5O — CID 79568028

IUPAC2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCc1nc(CC)n(CCC2CCCC2(NC)C(N)=O)n1
InChIInChI=1S/C15H27N5O/c1-4-12-18-13(5-2)20(19-12)10-8-11-7-6-9-15(11,17-3)14(16)21/h11,17H,4-10H2,1-3H3,(H2,16,21)
InChIKeyOFWFQVNHMJASDN-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.04
Rot. Bonds7

About 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79568028) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79568028
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCc1nc(CC)n(CCC2CCCC2(NC)C(N)=O)n1
InChIInChI=1S/C15H27N5O/c1-4-12-18-13(5-2)20(19-12)10-8-11-7-6-9-15(11,17-3)14(16)21/h11,17H,4-10H2,1-3H3,(H2,16,21)
InChIKeyOFWFQVNHMJASDN-UHFFFAOYSA-N
XLogP1.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79573269
1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
CID 79587255
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79563801
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564522
2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79572724
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79572159
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573690
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
CID 79564193
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106925424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79568028) is 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CCc1nc(CC)n(CCC2CCCC2(NC)C(N)=O)n1.
What is the InChIKey of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is OFWFQVNHMJASDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-12-18-13(5-2)20(19-12)10-8-11-7-6-9-15(11,17-3)14(16)21/h11,17H,4-10H2,1-3H3,(H2,16,21).
What are the key properties of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79568028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).