4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole

C8H13N3O — CID 115395381

IUPAC4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole
SMILESCC1CCC(c2nncn2C)O1
InChIInChI=1S/C8H13N3O/c1-6-3-4-7(12-6)8-10-9-5-11(8)2/h5-7H,3-4H2,1-2H3
InChIKeyIRLVGWOYXUCPDS-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.06
Rot. Bonds1

About 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole

4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole (PubChem CID 115395381) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole
PubChem CID115395381
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole
SMILESCC1CCC(c2nncn2C)O1
InChIInChI=1S/C8H13N3O/c1-6-3-4-7(12-6)8-10-9-5-11(8)2/h5-7H,3-4H2,1-2H3
InChIKeyIRLVGWOYXUCPDS-UHFFFAOYSA-N
XLogP1.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(R)-fluoro-[(2S)-oxetan-2-yl]methyl]-4-methyl-1,2,4-triazole
CID 175875264
3-[(S)-fluoro-[(2S)-oxetan-2-yl]methyl]-4-methyl-1,2,4-triazole
CID 175875307
3-[(S)-fluoro-[(2R)-oxetan-2-yl]methyl]-4-methyl-1,2,4-triazole
CID 176090262
3-[(R)-fluoro-[(2R)-oxetan-2-yl]methyl]-4-methyl-1,2,4-triazole
CID 176090269
3-[Fluoro(oxetan-2-yl)methyl]-4-methyl-1,2,4-triazole
CID 176090273
3-(tetrahydrofuran-2-yl)-4H-1,2,4-triazole
CID 66487024
4-Methyl-3-(oxolan-2-yl)-1,2,4-triazole
CID 115395251
4-(1,3-dimethoxypropan-2-yl)-3-methyl-5-[(2S,5S)-5-methyloxolan-2-yl]-1,2,4-triazole
CID 132107239
4-(1,3-dimethoxypropan-2-yl)-3-methyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazole
CID 132107248
1-((Tetrahydrofuran-2-yl)methyl)-1h-1,2,4-triazole-3-carbonitrile
CID 53522952
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62116959
2-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63332785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole (CID 115395381) is 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole is CC1CCC(c2nncn2C)O1.
What is the InChIKey of 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole?
The InChIKey is IRLVGWOYXUCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-3-4-7(12-6)8-10-9-5-11(8)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole?
4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole has a molecular weight of 167.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyloxolan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 115395381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).