1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione

C13H11N5O2 — CID 118005393

IUPAC1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
SMILESCn1cc(-c2cn(-c3ccccc3)nn2)c(=O)[nH]c1=O
InChIInChI=1S/C13H11N5O2/c1-17-7-10(12(19)14-13(17)20)11-8-18(16-15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,19,20)
InChIKeyBLLXEVBNFUXAKB-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.32
Rot. Bonds2

About 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione

1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione (PubChem CID 118005393) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
PubChem CID118005393
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
SMILESCn1cc(-c2cn(-c3ccccc3)nn2)c(=O)[nH]c1=O
InChIInChI=1S/C13H11N5O2/c1-17-7-10(12(19)14-13(17)20)11-8-18(16-15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,19,20)
InChIKeyBLLXEVBNFUXAKB-UHFFFAOYSA-N
XLogP0.32
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
CID 118005141
carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole
CID 157125996
3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228284
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
3-[1-[4-(2-methylsulfonylpropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
CID 130228232
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[1-(4-propan-2-ylphenyl)triazol-4-yl]pyrimidine-2,4-dione
CID 71589749
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]pyrimidine-2,4-dione
CID 51041060
4-(2-bromophenyl)-1-(4-bromophenyl)triazole
CID 102455880
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione (CID 118005393) is 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione is Cn1cc(-c2cn(-c3ccccc3)nn2)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is BLLXEVBNFUXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-17-7-10(12(19)14-13(17)20)11-8-18(16-15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,19,20).
What are the key properties of 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione?
1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 118005393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).