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

C15H24N6O — CID 97116970

IUPAC3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1CCn1cc([C@@H]2CCOC(C)(C)C2)nn1
InChIInChI=1S/C15H24N6O/c1-4-20-11-16-18-14(20)5-7-21-10-13(17-19-21)12-6-8-22-15(2,3)9-12/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyLDUYOVMFZHWINZ-GFCCVEGCSA-N
MW304.40 g/mol
LogP1.80
Rot. Bonds5

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

3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole (PubChem CID 97116970) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
PubChem CID97116970
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole
SMILESCCn1cnnc1CCn1cc([C@@H]2CCOC(C)(C)C2)nn1
InChIInChI=1S/C15H24N6O/c1-4-20-11-16-18-14(20)5-7-21-10-13(17-19-21)12-6-8-22-15(2,3)9-12/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyLDUYOVMFZHWINZ-GFCCVEGCSA-N
XLogP1.80
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole (CID 97116970) is 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole is CCn1cnnc1CCn1cc([C@@H]2CCOC(C)(C)C2)nn1.
What is the InChIKey of 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
The InChIKey is LDUYOVMFZHWINZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-20-11-16-18-14(20)5-7-21-10-13(17-19-21)12-6-8-22-15(2,3)9-12/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole?
3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole has a molecular weight of 304.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4R)-2,2-dimethyloxan-4-yl]triazol-1-yl]ethyl]-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 97116970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).