4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole

C9H15N3O — CID 115394842

IUPAC4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole
SMILESCCn1cnnc1CC1CCCO1
InChIInChI=1S/C9H15N3O/c1-2-12-7-10-11-9(12)6-8-4-3-5-13-8/h7-8H,2-6H2,1H3
InChIKeyWVGHEGXDQCLATN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds3

About 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole

4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole (PubChem CID 115394842) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole
PubChem CID115394842
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole
SMILESCCn1cnnc1CC1CCCO1
InChIInChI=1S/C9H15N3O/c1-2-12-7-10-11-9(12)6-8-4-3-5-13-8/h7-8H,2-6H2,1H3
InChIKeyWVGHEGXDQCLATN-UHFFFAOYSA-N
XLogP1.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
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
4-Methyl-3-(oxolan-2-yl)-1,2,4-triazole
CID 115395251
3-Ethyl-4-(oxolan-3-yl)-1,2,4-triazole
CID 141199128
1-[(2R,5R)-5-ethyloxolan-2-yl]-3-methyl-1,2,4-triazole
CID 143609309
Hexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 168893977
3-(2-Methoxybutyl)-4-methyl-1,2,4-triazole
CID 168894089
3-Chloro-5-methyl-4-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
CID 63389632
3-Chloro-5-ethyl-4-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole
CID 63389634

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole (CID 115394842) is 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole is CCn1cnnc1CC1CCCO1.
What is the InChIKey of 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
The InChIKey is WVGHEGXDQCLATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-7-10-11-9(12)6-8-4-3-5-13-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 115394842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).