1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide

C15H14N6O3 — CID 118652798

IUPAC1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
SMILESCn1cnnc1NC(=O)c1cn(C)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H14N6O3/c1-19-8-11(12(22)17-14-18-16-9-20(14)2)13(23)21(15(19)24)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,22)
InChIKeyPRCFWSWHBYTKKR-UHFFFAOYSA-N
MW326.32 g/mol
LogP-0.08
Rot. Bonds3

About 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide

1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide (PubChem CID 118652798) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
PubChem CID118652798
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
SMILESCn1cnnc1NC(=O)c1cn(C)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H14N6O3/c1-19-8-11(12(22)17-14-18-16-9-20(14)2)13(23)21(15(19)24)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,22)
InChIKeyPRCFWSWHBYTKKR-UHFFFAOYSA-N
XLogP-0.08
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide (CID 118652798) is 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide is Cn1cnnc1NC(=O)c1cn(C)c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide?
The InChIKey is PRCFWSWHBYTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-19-8-11(12(22)17-14-18-16-9-20(14)2)13(23)21(15(19)24)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,22).
What are the key properties of 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide?
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide has a molecular weight of 326.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 118652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).