3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

C14H22N6 — CID 91828953

IUPAC3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCCc1nccn1CCN1CCCC1c1n[nH]c(C)n1
InChIInChI=1S/C14H22N6/c1-3-13-15-6-8-20(13)10-9-19-7-4-5-12(19)14-16-11(2)17-18-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyQYYUENLSUHZJIZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.71
Rot. Bonds5

About 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (PubChem CID 91828953) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
PubChem CID91828953
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCCc1nccn1CCN1CCCC1c1n[nH]c(C)n1
InChIInChI=1S/C14H22N6/c1-3-13-15-6-8-20(13)10-9-19-7-4-5-12(19)14-16-11(2)17-18-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyQYYUENLSUHZJIZ-UHFFFAOYSA-N
XLogP1.71
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(7-Imidazol-1-yl-heptyl)-1H-tetrazole
CID 44269990
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-imidazol-1-yl)propan-2-amine
CID 56713810
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928265
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928295
3-Methyl-5-{1-[(4-methyl-1H-imidazol-2-YL)methyl]pyrrolidin-2-YL}-1H-1,2,4-triazole
CID 74250654
N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine
CID 91840171
1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-3-yl)piperazine
CID 118772218
4-imidazol-1-yl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 132383679
1-butyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1,2,4-triazole
CID 164639919
3,5-Dimethyl-1-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 53571986
1-[[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 53586325
3,5-dimethyl-1-[[(2S)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95291825

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (CID 91828953) is 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is CCc1nccn1CCN1CCCC1c1n[nH]c(C)n1.
What is the InChIKey of 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is QYYUENLSUHZJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-13-15-6-8-20(13)10-9-19-7-4-5-12(19)14-16-11(2)17-18-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 274.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 91828953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).