4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione

C14H17N3O4 — CID 123814601

IUPAC4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione
SMILESCOC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C14H17N3O4/c1-10-3-5-11(6-4-10)17-14(20)16(13(19)7-15-17)8-12(18)9-21-2/h3-7,12,18H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyZPNVFXKDQYRKSU-GFCCVEGCSA-N
MW291.31 g/mol
LogP-0.29
Rot. Bonds5

About 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione

4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 123814601) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione
PubChem CID123814601
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione
SMILESCOC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C14H17N3O4/c1-10-3-5-11(6-4-10)17-14(20)16(13(19)7-15-17)8-12(18)9-21-2/h3-7,12,18H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyZPNVFXKDQYRKSU-GFCCVEGCSA-N
XLogP-0.29
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione (CID 123814601) is 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione is COC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)cc2)c1=O.
What is the InChIKey of 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is ZPNVFXKDQYRKSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10-3-5-11(6-4-10)17-14(20)16(13(19)7-15-17)8-12(18)9-21-2/h3-7,12,18H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione?
4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 291.31 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-3-methoxypropyl]-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 123814601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).