5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole

C14H19N5O — CID 74250871

IUPAC5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
SMILESc1ncc(CCn2nc(C3CCOC3)nc2C2CC2)[nH]1
InChIInChI=1S/C14H19N5O/c1-2-10(1)14-17-13(11-4-6-20-8-11)18-19(14)5-3-12-7-15-9-16-12/h7,9-11H,1-6,8H2,(H,15,16)
InChIKeyFJJYEIWZECLGEI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds5

About 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole

5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole (PubChem CID 74250871) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
PubChem CID74250871
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
SMILESc1ncc(CCn2nc(C3CCOC3)nc2C2CC2)[nH]1
InChIInChI=1S/C14H19N5O/c1-2-10(1)14-17-13(11-4-6-20-8-11)18-19(14)5-3-12-7-15-9-16-12/h7,9-11H,1-6,8H2,(H,15,16)
InChIKeyFJJYEIWZECLGEI-UHFFFAOYSA-N
XLogP1.63
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(benzenesulfonyl)ethyl]-3-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
CID 74250876
4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole
CID 72937395
(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 74232474
3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole
CID 86792642
5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one
CID 163309689
cyclohexyl-[(2S)-2-[2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 74235345
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole
CID 74250381
formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 163334744
3-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1H-imidazol-5-yl)ethyl]-5-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-triazole
CID 155493685
2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid
CID 134127622
1-[(4-methylphenyl)methyl]-3-[(3R)-oxolan-3-yl]-5-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136720969

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole (CID 74250871) is 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole is c1ncc(CCn2nc(C3CCOC3)nc2C2CC2)[nH]1.
What is the InChIKey of 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole?
The InChIKey is FJJYEIWZECLGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-10(1)14-17-13(11-4-6-20-8-11)18-19(14)5-3-12-7-15-9-16-12/h7,9-11H,1-6,8H2,(H,15,16).
What are the key properties of 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole?
5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole has a molecular weight of 273.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 74250871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).