2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione

C8H13N3O4 — CID 93489542

IUPAC2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione
SMILESCCc1nn(C[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-2-6-7(14)9-8(15)11(10-6)3-5(13)4-12/h5,12-13H,2-4H2,1H3,(H,9,14,15)/t5-/m0/s1
InChIKeyOOWUZRLOGBFSDP-YFKPBYRVSA-N
MW215.21 g/mol
LogP-2.15
Rot. Bonds4

About 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione

2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione (PubChem CID 93489542) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione
PubChem CID93489542
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione
SMILESCCc1nn(C[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-2-6-7(14)9-8(15)11(10-6)3-5(13)4-12/h5,12-13H,2-4H2,1H3,(H,9,14,15)/t5-/m0/s1
InChIKeyOOWUZRLOGBFSDP-YFKPBYRVSA-N
XLogP-2.15
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione 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)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione (CID 93489542) is 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione is CCc1nn(C[C@H](O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione?
The InChIKey is OOWUZRLOGBFSDP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-2-6-7(14)9-8(15)11(10-6)3-5(13)4-12/h5,12-13H,2-4H2,1H3,(H,9,14,15)/t5-/m0/s1.
What are the key properties of 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione?
2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione has a molecular weight of 215.21 g/mol, XLogP of -2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dihydroxypropyl]-6-ethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 93489542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).