3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole

C10H17N3O — CID 103164419

IUPAC3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole
SMILESCCOC1CC(Cc2n[nH]c(C)n2)C1
InChIInChI=1S/C10H17N3O/c1-3-14-9-4-8(5-9)6-10-11-7(2)12-13-10/h8-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHFAFMYZNVXKWOR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds4

About 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole

3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole (PubChem CID 103164419) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole
PubChem CID103164419
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole
SMILESCCOC1CC(Cc2n[nH]c(C)n2)C1
InChIInChI=1S/C10H17N3O/c1-3-14-9-4-8(5-9)6-10-11-7(2)12-13-10/h8-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHFAFMYZNVXKWOR-UHFFFAOYSA-N
XLogP1.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(methoxymethyl)cyclobutyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74246487
3-(oxan-3-yl)-5-propyl-1H-1,2,4-triazole
CID 53788209
3-methyl-5-(tetrahydro-2H-pyran-4-yl)-4H-1,2,4-triazole
CID 62906574
3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
CID 118564349
5-(2-cyclobutylethyl)-3-methoxy-1H-1,2,4-triazole
CID 123819558
3-cyclopropyl-5-(4-methoxycyclohexyl)-1H-1,2,4-triazole
CID 50972198
5-ethyl-3-(oxan-4-yl)-1H-1,2,4-triazole
CID 53631365
5-(oxolan-2-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 61336922
3-cyclohexyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
CID 61337350
3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
CID 61338320
5-(oxan-2-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 62213365
3-cyclopentyl-5-(2-ethoxyethyl)-1H-1,2,4-triazole
CID 62588226

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole (CID 103164419) is 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole is CCOC1CC(Cc2n[nH]c(C)n2)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is HFAFMYZNVXKWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-14-9-4-8(5-9)6-10-11-7(2)12-13-10/h8-9H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole?
3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 103164419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).