1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile

C11H17N5 — CID 103607029

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
SMILESCN1CCCCC1CCn1cnc(C#N)n1
InChIInChI=1S/C11H17N5/c1-15-6-3-2-4-10(15)5-7-16-9-13-11(8-12)14-16/h9-10H,2-7H2,1H3
InChIKeyLLUDNRNCAKZIFW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.02
Rot. Bonds3

About 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile

1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 103607029) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
PubChem CID103607029
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
SMILESCN1CCCCC1CCn1cnc(C#N)n1
InChIInChI=1S/C11H17N5/c1-15-6-3-2-4-10(15)5-7-16-9-13-11(8-12)14-16/h9-10H,2-7H2,1H3
InChIKeyLLUDNRNCAKZIFW-UHFFFAOYSA-N
XLogP1.02
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazol-3-yl]aniline
CID 107912171
(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
CID 143916063
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
3-[2-(1-methylpiperidin-2-yl)ethoxy]-1-benzofuran-2-carbonitrile
CID 107912198
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
CID 107919142
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184
3-chloro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzonitrile
CID 103603446
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile (CID 103607029) is 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile is CN1CCCCC1CCn1cnc(C#N)n1.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is LLUDNRNCAKZIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-6-3-2-4-10(15)5-7-16-9-13-11(8-12)14-16/h9-10H,2-7H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile?
1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 103607029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).