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

C10H17N3O — CID 103167595

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C)C1
InChIInChI=1S/C10H17N3O/c1-3-14-9-4-8(5-9)6-10-12-11-7-13(10)2/h7-9H,3-6H2,1-2H3
InChIKeyHCJJEMRMDSWIGC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.17
Rot. Bonds4

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

3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole (PubChem CID 103167595) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole
PubChem CID103167595
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C)C1
InChIInChI=1S/C10H17N3O/c1-3-14-9-4-8(5-9)6-10-12-11-7-13(10)2/h7-9H,3-6H2,1-2H3
InChIKeyHCJJEMRMDSWIGC-UHFFFAOYSA-N
XLogP1.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.17
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-Ethyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115394846
4-Methyl-3-(oxan-4-yl)-1,2,4-triazole
CID 115395424
1-Methyl-5-(oxan-4-ylmethyl)-1,2,4-triazole
CID 141181282
3-[(1S,2S)-1-ethoxy-2-methylbutyl]-1-methyl-1,2,4-triazole
CID 177331966
4-Methyl-5-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65615028
5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103162630
5-[(3-Ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 103162635

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole (CID 103167595) is 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole is CCOC1CC(Cc2nncn2C)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole?
The InChIKey is HCJJEMRMDSWIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-14-9-4-8(5-9)6-10-12-11-7-13(10)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole?
3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 103167595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).