1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole

C17H23N3O — CID 118473671

IUPAC1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole
SMILESCCC1(c2ccccc2)OCCCC1(CC)n1cncn1
InChIInChI=1S/C17H23N3O/c1-3-16(20-14-18-13-19-20)11-8-12-21-17(16,4-2)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3
InChIKeyXZXAGUJHSOVJPY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole

1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole (PubChem CID 118473671) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole
PubChem CID118473671
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole
SMILESCCC1(c2ccccc2)OCCCC1(CC)n1cncn1
InChIInChI=1S/C17H23N3O/c1-3-16(20-14-18-13-19-20)11-8-12-21-17(16,4-2)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3
InChIKeyXZXAGUJHSOVJPY-UHFFFAOYSA-N
XLogP3.50
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
CID 118473658
1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
CID 118473703
1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
CID 118473657
triethoxy-(2-phenyloxan-2-yl)silane
CID 175435883
1-(2-phenyl-2-prop-2-enoxyoxepan-3-yl)-1,2,4-triazole
CID 118473731
1-(2-chloro-2-phenyloxolan-3-yl)-1,2,4-triazole
CID 118473666
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
1-[(2-phenyl-1,3-dioxol-2-yl)methyl]-1,2,4-triazole
CID 156783536
2-(2-phenyloxolan-2-yl)ethanamine
CID 155858303
1-N,2-N-diethyl-1-N,2-N-bis(2-methyloxolan-2-yl)benzene-1,2-diamine
CID 22457331
1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
CID 54524191
CID 102302966
CID 102302966

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole (CID 118473671) is 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole is CCC1(c2ccccc2)OCCCC1(CC)n1cncn1.
What is the InChIKey of 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole?
The InChIKey is XZXAGUJHSOVJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-16(20-14-18-13-19-20)11-8-12-21-17(16,4-2)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole?
1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole has a molecular weight of 285.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethyl-2-phenyloxan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 118473671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).