1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C14H13N5O2 — CID 647501

IUPAC1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyHJXOIRIPJDWFBS-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.52
Rot. Bonds2

About 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 647501) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID647501
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyHJXOIRIPJDWFBS-UHFFFAOYSA-N
XLogP0.52
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 647501) is 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is HJXOIRIPJDWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 283.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 647501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).