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

C13H23N3O — CID 103167589

IUPAC4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C(C)(C)C)C1
InChIInChI=1S/C13H23N3O/c1-5-17-11-6-10(7-11)8-12-15-14-9-16(12)13(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyDADZCVSONHDEQH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.39
Rot. Bonds4

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

4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole (PubChem CID 103167589) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
PubChem CID103167589
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C(C)(C)C)C1
InChIInChI=1S/C13H23N3O/c1-5-17-11-6-10(7-11)8-12-15-14-9-16(12)13(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyDADZCVSONHDEQH-UHFFFAOYSA-N
XLogP2.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[4-Tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167571
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167573
[5-[(3-Ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167576
[5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103167578
3-(Cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 103167582
3-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 103167583
3-[(3-Ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
CID 103167585
4-Cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
CID 103167587
4-Tert-butyl-3-(cyclobutylmethyl)-1,2,4-triazole
CID 103167588
3-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
CID 103167591

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole (CID 103167589) is 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole is CCOC1CC(Cc2nncn2C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
The InChIKey is DADZCVSONHDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-17-11-6-10(7-11)8-12-15-14-9-16(12)13(2,3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole has a molecular weight of 237.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 103167589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).