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

C12H21N3O — CID 103167585

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C(C)C)C1
InChIInChI=1S/C12H21N3O/c1-4-16-11-5-10(6-11)7-12-14-13-8-15(12)9(2)3/h8-11H,4-7H2,1-3H3
InChIKeyKQXHHBHBCQCTHD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.22
Rot. Bonds5

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

3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole (PubChem CID 103167585) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
PubChem CID103167585
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C(C)C)C1
InChIInChI=1S/C12H21N3O/c1-4-16-11-5-10(6-11)7-12-14-13-8-15(12)9(2)3/h8-11H,4-7H2,1-3H3
InChIKeyKQXHHBHBCQCTHD-UHFFFAOYSA-N
XLogP2.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115394846
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 64852944
3-ethoxy-2-ethyl-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 65169238
1-Cyclobutyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 65605416
5-(2-Ethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol
CID 65617409
4-Methyl-5-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65617410
4-Methyl-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65617411
4-Methyl-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 65617611
5-[(3-Ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 103162635
[5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167566
[4-Cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167569
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167573

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole (CID 103167585) is 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole is CCOC1CC(Cc2nncn2C(C)C)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole?
The InChIKey is KQXHHBHBCQCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-16-11-5-10(6-11)7-12-14-13-8-15(12)9(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole?
3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.22, 5 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-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 103167585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).