3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole

C10H17N3O — CID 118564349

IUPAC3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
SMILESCCc1n[nH]c(CC2CCCOC2)n1
InChIInChI=1S/C10H17N3O/c1-2-9-11-10(13-12-9)6-8-4-3-5-14-7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyLVONULMUPQGVTB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.34
Rot. Bonds3

About 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole

3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole (PubChem CID 118564349) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
PubChem CID118564349
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
SMILESCCc1n[nH]c(CC2CCCOC2)n1
InChIInChI=1S/C10H17N3O/c1-2-9-11-10(13-12-9)6-8-4-3-5-14-7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyLVONULMUPQGVTB-UHFFFAOYSA-N
XLogP1.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxan-4-yl)-4H-1,2,4-triazol-3-amine
CID 62907564
(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
5-[1-(methoxymethyl)cyclobutyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74246487
5-[2-(1-methylcyclopropyl)ethyl]-3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 97923281
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
3-cyclohexyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208748
3-cyclohexyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208750
5-[(2R,3S)-2-tert-butyloxolan-3-yl]-3-(difluoromethyl)-1H-1,2,4-triazole
CID 139017209
5-(6-oxaspiro[2.5]octan-2-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 167767339
5-[[4-(methoxymethyl)-2,6-dimethylcyclohexyl]methyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 20751818
5-[2-(oxan-4-yl)ethyl]-1H-1,2,4-triazole
CID 57093227
5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole
CID 57175526

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole (CID 118564349) is 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole is CCc1n[nH]c(CC2CCCOC2)n1.
What is the InChIKey of 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole?
The InChIKey is LVONULMUPQGVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9-11-10(13-12-9)6-8-4-3-5-14-7-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole?
3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 118564349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).