3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole

C17H21N3O2 — CID 95135200

IUPAC3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole
SMILESc1ccc(-n2nc(C3CC3)nc2COC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H21N3O2/c1-2-5-14(6-3-1)20-16(18-17(19-20)13-8-9-13)12-21-11-15-7-4-10-22-15/h1-3,5-6,13,15H,4,7-12H2/t15-/m1/s1
InChIKeyCKUYBTRWMJVQHI-OAHLLOKOSA-N
MW299.37 g/mol
LogP2.84
Rot. Bonds6

About 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole

3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole (PubChem CID 95135200) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole
PubChem CID95135200
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole
SMILESc1ccc(-n2nc(C3CC3)nc2COC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H21N3O2/c1-2-5-14(6-3-1)20-16(18-17(19-20)13-8-9-13)12-21-11-15-7-4-10-22-15/h1-3,5-6,13,15H,4,7-12H2/t15-/m1/s1
InChIKeyCKUYBTRWMJVQHI-OAHLLOKOSA-N
XLogP2.84
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole (CID 95135200) is 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole is c1ccc(-n2nc(C3CC3)nc2COC[C@H]2CCCO2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole?
The InChIKey is CKUYBTRWMJVQHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-5-14(6-3-1)20-16(18-17(19-20)13-8-9-13)12-21-11-15-7-4-10-22-15/h1-3,5-6,13,15H,4,7-12H2/t15-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole?
3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole has a molecular weight of 299.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 95135200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).