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

C14H13N5O2 — CID 68656262

IUPAC6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCC(C)c1nnc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1
InChIInChI=1S/C14H13N5O2/c1-8(2)11-15-10-12(18-17-11)16-14(21)19(13(10)20)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,18,21)
InChIKeyGGYLPXCBZOIYAE-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.99
Rot. Bonds2

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

6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 68656262) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID68656262
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCC(C)c1nnc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1
InChIInChI=1S/C14H13N5O2/c1-8(2)11-15-10-12(18-17-11)16-14(21)19(13(10)20)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,18,21)
InChIKeyGGYLPXCBZOIYAE-UHFFFAOYSA-N
XLogP0.99
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 68656262) is 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is CC(C)c1nnc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1.
What is the InChIKey of 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is GGYLPXCBZOIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8(2)11-15-10-12(18-17-11)16-14(21)19(13(10)20)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,18,21).
What are the key properties of 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 283.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 68656262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).