1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole

C9H15N3O — CID 143609309

IUPAC1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole
SMILESCC[C@@H]1CC[C@H](n2cnc(C)n2)O1
InChIInChI=1S/C9H15N3O/c1-3-8-4-5-9(13-8)12-6-10-7(2)11-12/h6,8-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyFVKQUXWIQVKCGY-RKDXNWHRSA-N
MW181.24 g/mol
LogP1.67
Rot. Bonds2

About 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole

1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole (PubChem CID 143609309) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole
PubChem CID143609309
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole
SMILESCC[C@@H]1CC[C@H](n2cnc(C)n2)O1
InChIInChI=1S/C9H15N3O/c1-3-8-4-5-9(13-8)12-6-10-7(2)11-12/h6,8-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyFVKQUXWIQVKCGY-RKDXNWHRSA-N
XLogP1.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-(oxan-2-yl)-1,2,4-triazole
CID 20744903
[(2S,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolan-2-yl]methanol
CID 68169667
3-Methyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 155480208
1-[3-(Oxolan-2-yl)propyl]-1,2,4-triazole
CID 65165070
1-[2-(Oxolan-2-yl)ethyl]-1,2,4-triazole
CID 65165120
1-[3-(Oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile
CID 65165722
1-[2-(Oxolan-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 65165723
[1-[3-(Oxolan-2-yl)propyl]-1,2,4-triazol-3-yl]methanamine
CID 65165780
[1-[2-(Oxolan-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 65165781
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65600253
2-(oxolan-2-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65609013
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65609014

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole (CID 143609309) is 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole is CC[C@@H]1CC[C@H](n2cnc(C)n2)O1.
What is the InChIKey of 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole?
The InChIKey is FVKQUXWIQVKCGY-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8-4-5-9(13-8)12-6-10-7(2)11-12/h6,8-9H,3-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole?
1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 143609309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).