6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione

C13H10N6O3 — CID 135477983

IUPAC6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=N/n1cnnc1
InChIInChI=1S/C13H10N6O3/c20-11-10(6-16-18-7-14-15-8-18)12(21)19(13(22)17-11)9-4-2-1-3-5-9/h1-8,21H,(H,17,20,22)/b16-6+
InChIKeyMOSCFUYDWJUFMB-OMCISZLKSA-N
MW298.26 g/mol
LogP-0.29
Rot. Bonds3

About 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione (PubChem CID 135477983) has the molecular formula C13H10N6O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
PubChem CID135477983
Molecular FormulaC13H10N6O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=N/n1cnnc1
InChIInChI=1S/C13H10N6O3/c20-11-10(6-16-18-7-14-15-8-18)12(21)19(13(22)17-11)9-4-2-1-3-5-9/h1-8,21H,(H,17,20,22)/b16-6+
InChIKeyMOSCFUYDWJUFMB-OMCISZLKSA-N
XLogP-0.29
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584
6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
(2S)-2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]butanedioic acid
CID 135957733
2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]butanedioic acid
CID 135652602
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 939765
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
5-[(3-acetylphenyl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 877693
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
CID 135607948
1-(4-fluorophenyl)-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135420673
5-[(E)-azepan-1-yliminomethyl]-6-hydroxy-1-(4-iodophenyl)pyrimidine-2,4-dione
CID 135469769
N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide
CID 3119719
5-[(1-benzyl-3,5-dimethylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 137120832

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione (CID 135477983) is 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=N/n1cnnc1.
What is the InChIKey of 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione?
The InChIKey is MOSCFUYDWJUFMB-OMCISZLKSA-N. The full InChI is InChI=1S/C13H10N6O3/c20-11-10(6-16-18-7-14-15-8-18)12(21)19(13(22)17-11)9-4-2-1-3-5-9/h1-8,21H,(H,17,20,22)/b16-6+.
What are the key properties of 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione has a molecular weight of 298.26 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135477983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).