1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C19H19N5O2 — CID 71817851

IUPAC1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(/C=C/C3CC3)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-3-12-6-8-14(9-7-12)16-20-15-17(21-19(26)23(2)18(15)25)24(22-16)11-10-13-4-5-13/h6-11,13H,3-5H2,1-2H3/b11-10+
InChIKeyJLQGLHXWGXIFAN-ZHACJKMWSA-N
MW349.39 g/mol
LogP1.95
Rot. Bonds4

About 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 71817851) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID71817851
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(/C=C/C3CC3)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-3-12-6-8-14(9-7-12)16-20-15-17(21-19(26)23(2)18(15)25)24(22-16)11-10-13-4-5-13/h6-11,13H,3-5H2,1-2H3/b11-10+
InChIKeyJLQGLHXWGXIFAN-ZHACJKMWSA-N
XLogP1.95
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 71817851) is 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CCc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(/C=C/C3CC3)n2)cc1.
What is the InChIKey of 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is JLQGLHXWGXIFAN-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-12-6-8-14(9-7-12)16-20-15-17(21-19(26)23(2)18(15)25)24(22-16)11-10-13-4-5-13/h6-11,13H,3-5H2,1-2H3/b11-10+.
What are the key properties of 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 349.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylethenyl]-3-(4-ethylphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 71817851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).