5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine

C10H18N4 — CID 130685229

IUPAC5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCCC1CCC(Cn2cncn2)NC1
InChIInChI=1S/C10H18N4/c1-2-9-3-4-10(12-5-9)6-14-8-11-7-13-14/h7-10,12H,2-6H2,1H3
InChIKeyIITJPODQHZUSJK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.06
Rot. Bonds3

About 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine

5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 130685229) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID130685229
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCCC1CCC(Cn2cncn2)NC1
InChIInChI=1S/C10H18N4/c1-2-9-3-4-10(12-5-9)6-14-8-11-7-13-14/h7-10,12H,2-6H2,1H3
InChIKeyIITJPODQHZUSJK-UHFFFAOYSA-N
XLogP1.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
CID 130166985
cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
CID 59689224
2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
CID 97297925
1-[(2-propan-2-ylcycloheptyl)methyl]-1,2,4-triazole
CID 59088664
1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851131
1-[[(2S)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 42281468
(3S)-3-(1,2,4-triazol-1-ylmethyl)piperazine-1-carboxylic acid
CID 68988092
1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851129
1-[[(2R,3R)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
CID 54253937
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
1-[(4,4-dimethyloxetan-2-yl)methyl]-1,2,4-triazole
CID 67791758
1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 143132022

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 130685229) is 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine is CCC1CCC(Cn2cncn2)NC1.
What is the InChIKey of 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is IITJPODQHZUSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-9-3-4-10(12-5-9)6-14-8-11-7-13-14/h7-10,12H,2-6H2,1H3.
What are the key properties of 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine?
5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 130685229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).