3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C12H9N5O2 — CID 68654276

IUPAC3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCc1nnc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1
InChIInChI=1S/C12H9N5O2/c1-7-13-9-10(16-15-7)14-12(19)17(11(9)18)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,16,19)
InChIKeyAFMQRHKAMXCGCU-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.17
Rot. Bonds1

About 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 68654276) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID68654276
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCc1nnc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1
InChIInChI=1S/C12H9N5O2/c1-7-13-9-10(16-15-7)14-12(19)17(11(9)18)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,16,19)
InChIKeyAFMQRHKAMXCGCU-UHFFFAOYSA-N
XLogP0.17
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 68654276) is 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cc1nnc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1.
What is the InChIKey of 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is AFMQRHKAMXCGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c1-7-13-9-10(16-15-7)14-12(19)17(11(9)18)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,16,19).
What are the key properties of 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 255.24 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 68654276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).