3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole

C16H25N5O — CID 70708080

IUPAC3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1CCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C16H25N5O/c1-4-20-12-18-19-14(20)5-8-21-9-7-17-15(21)13-6-10-22-16(2,3)11-13/h7,9,12-13H,4-6,8,10-11H2,1-3H3
InChIKeyZMCREEDENQVIIU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.41
Rot. Bonds5

About 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole

3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole (PubChem CID 70708080) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
PubChem CID70708080
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1CCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C16H25N5O/c1-4-20-12-18-19-14(20)5-8-21-9-7-17-15(21)13-6-10-22-16(2,3)11-13/h7,9,12-13H,4-6,8,10-11H2,1-3H3
InChIKeyZMCREEDENQVIIU-UHFFFAOYSA-N
XLogP2.41
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole (CID 70708080) is 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole is CCn1cnnc1CCn1ccnc1C1CCOC(C)(C)C1.
What is the InChIKey of 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
The InChIKey is ZMCREEDENQVIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-20-12-18-19-14(20)5-8-21-9-7-17-15(21)13-6-10-22-16(2,3)11-13/h7,9,12-13H,4-6,8,10-11H2,1-3H3.
What are the key properties of 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole has a molecular weight of 303.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 70708080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).