2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one

C16H29N3O4 — CID 129342034

IUPAC2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)OC[C@@H](O)Cn1nc([C@H]2OCC[C@H]2C)n(C(C)C)c1=O
InChIInChI=1S/C16H29N3O4/c1-10(2)19-15(14-12(5)6-7-22-14)17-18(16(19)21)8-13(20)9-23-11(3)4/h10-14,20H,6-9H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeySFKRUSXGPGFNDD-RDBSUJKOSA-N
MW327.43 g/mol
LogP1.51
Rot. Bonds7

About 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one

2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 129342034) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID129342034
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)OC[C@@H](O)Cn1nc([C@H]2OCC[C@H]2C)n(C(C)C)c1=O
InChIInChI=1S/C16H29N3O4/c1-10(2)19-15(14-12(5)6-7-22-14)17-18(16(19)21)8-13(20)9-23-11(3)4/h10-14,20H,6-9H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeySFKRUSXGPGFNDD-RDBSUJKOSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one 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 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one (CID 129342034) is 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)OC[C@@H](O)Cn1nc([C@H]2OCC[C@H]2C)n(C(C)C)c1=O.
What is the InChIKey of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is SFKRUSXGPGFNDD-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-10(2)19-15(14-12(5)6-7-22-14)17-18(16(19)21)8-13(20)9-23-11(3)4/h10-14,20H,6-9H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 327.43 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 129342034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).