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

C12H9N5O2 — CID 6097374

IUPAC6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)[nH]c2nnc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C12H9N5O2/c1-17-11(18)8-10(14-12(17)19)16-15-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,16,19)
InChIKeyNVBYFWGBTBIMQL-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.08
Rot. Bonds1

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

6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 6097374) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID6097374
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)[nH]c2nnc(-c3ccccc3)nc2c1=O
InChIInChI=1S/C12H9N5O2/c1-17-11(18)8-10(14-12(17)19)16-15-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,16,19)
InChIKeyNVBYFWGBTBIMQL-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 6097374) is 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)[nH]c2nnc(-c3ccccc3)nc2c1=O.
What is the InChIKey of 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is NVBYFWGBTBIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c1-17-11(18)8-10(14-12(17)19)16-15-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,16,19).
What are the key properties of 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 255.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 6097374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).