1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine

C10H16N4 — CID 141381960

IUPAC1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC=Cc1nc(N2CCCCC2)nn1C
InChIInChI=1S/C10H16N4/c1-3-9-11-10(12-13(9)2)14-7-5-4-6-8-14/h3H,1,4-8H2,2H3
InChIKeyOEKMQLFHIAEBJT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.45
Rot. Bonds2

About 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine

1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 141381960) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID141381960
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC=Cc1nc(N2CCCCC2)nn1C
InChIInChI=1S/C10H16N4/c1-3-9-11-10(12-13(9)2)14-7-5-4-6-8-14/h3H,1,4-8H2,2H3
InChIKeyOEKMQLFHIAEBJT-UHFFFAOYSA-N
XLogP1.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
1-[(1-butyl-3-methyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 129615362
5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
1-[(1,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 20791667
5-Pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine
CID 66821363
2-Pentyl-5-prop-2-enyl-1,2,4-triazole-3-carbonitrile
CID 67753983
2-Ethenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68776087
1-(1-methyl-5-(2-methylprop-1-enyl)-1H-1,2,4-triazol-3-yl)piperidine
CID 90026055
2-ethenyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 91246923
N-ethenyl-1-(5-ethenyl-3-heptyl-1,2,4-triazol-1-yl)methanimine
CID 126658837
3-Ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 141381939
3-(Azetidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381941

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine (CID 141381960) is 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine is C=Cc1nc(N2CCCCC2)nn1C.
What is the InChIKey of 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is OEKMQLFHIAEBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-9-11-10(12-13(9)2)14-7-5-4-6-8-14/h3H,1,4-8H2,2H3.
What are the key properties of 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine?
1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 192.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-1-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 141381960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).