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

C15H25N5 — CID 79573269

IUPAC2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1nc(CC)n(CCC2CCCC2(C#N)NC)n1
InChIInChI=1S/C15H25N5/c1-4-13-18-14(5-2)20(19-13)10-8-12-7-6-9-15(12,11-16)17-3/h12,17H,4-10H2,1-3H3
InChIKeyYMXNINVNCSWFPF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.07
Rot. Bonds6

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

2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79573269) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79573269
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1nc(CC)n(CCC2CCCC2(C#N)NC)n1
InChIInChI=1S/C15H25N5/c1-4-13-18-14(5-2)20(19-13)10-8-12-7-6-9-15(12,11-16)17-3/h12,17H,4-10H2,1-3H3
InChIKeyYMXNINVNCSWFPF-UHFFFAOYSA-N
XLogP2.07
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
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-carboxamide
CID 79568028
1-(aminomethyl)-2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
CID 79587255
2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572116
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
CID 79564193
2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79573369
2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79572696
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572695
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79573740
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357

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-carbonitrile?
The IUPAC name of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79573269) is 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CCc1nc(CC)n(CCC2CCCC2(C#N)NC)n1.
What is the InChIKey of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is YMXNINVNCSWFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-13-18-14(5-2)20(19-13)10-8-12-7-6-9-15(12,11-16)17-3/h12,17H,4-10H2,1-3H3.
What are the key properties of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 79573269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).