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

C15H25N3O — CID 103164430

IUPAC3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
SMILESCCOC1CC(Cc2nc(C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C15H25N3O/c1-2-19-13-8-11(9-13)10-14-16-15(18-17-14)12-6-4-3-5-7-12/h11-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyQAIAWNIRIPOVPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds5

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

3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole (PubChem CID 103164430) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
PubChem CID103164430
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
SMILESCCOC1CC(Cc2nc(C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C15H25N3O/c1-2-19-13-8-11(9-13)10-14-16-15(18-17-14)12-6-4-3-5-7-12/h11-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyQAIAWNIRIPOVPW-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole (CID 103164430) is 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole is CCOC1CC(Cc2nc(C3CCCCC3)n[nH]2)C1.
What is the InChIKey of 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
The InChIKey is QAIAWNIRIPOVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-19-13-8-11(9-13)10-14-16-15(18-17-14)12-6-4-3-5-7-12/h11-13H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole has a molecular weight of 263.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 103164430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).