3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole

C9H14N4 — CID 141381939

IUPAC3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole
SMILESC=Cc1nc(N2CCCC2)n(C)n1
InChIInChI=1S/C9H14N4/c1-3-8-10-9(12(2)11-8)13-6-4-5-7-13/h3H,1,4-7H2,2H3
InChIKeyUEWALHBPMRHWJB-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.06
Rot. Bonds2

About 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole

3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole (PubChem CID 141381939) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole
PubChem CID141381939
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole
SMILESC=Cc1nc(N2CCCC2)n(C)n1
InChIInChI=1S/C9H14N4/c1-3-8-10-9(12(2)11-8)13-6-4-5-7-13/h3H,1,4-7H2,2H3
InChIKeyUEWALHBPMRHWJB-UHFFFAOYSA-N
XLogP1.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-5-pyrrolidin-1-yl-1,2,4-triazole
CID 165415035
1-methyl-5-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-3-pyrrolidin-1-yl-1,2,4-triazole
CID 165415091
1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-
CID 638978
3-Methyl-1-pyrrolidin-1-ylmethyl-1h-[1,2,4]triazole
CID 5101574
5-(2-methyl-prop enyl)-3-pyrrolidin-1-yl-1-(2,2,2-trifluoro-ethyl)-1H-[1,2,4]triazole
CID 90016776
1-(2,2-Difluoroethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90016966
5-(2-Methylprop-1-enyl)-3-pyrrolidin-1-yl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 123408888
3-(3,3-Difluoropyrrolidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381936
1-(2,2-Difluoroethyl)-5-ethenyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381938
5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
1-Methyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole;1,1,1-trifluoroethane
CID 145675773
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole?
The IUPAC name of 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole (CID 141381939) is 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole.
What is the SMILES notation for 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole?
The canonical SMILES for 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole is C=Cc1nc(N2CCCC2)n(C)n1.
What is the InChIKey of 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole?
The InChIKey is UEWALHBPMRHWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-8-10-9(12(2)11-8)13-6-4-5-7-13/h3H,1,4-7H2,2H3.
What are the key properties of 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole?
3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole has a molecular weight of 178.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-5-pyrrolidin-1-yl-1,2,4-triazole is sourced from PubChem (CID 141381939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).