1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C14H13N5O3 — CID 5039965

IUPAC1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCn1nc(-c2cccc(O)c2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C14H13N5O3/c1-3-19-12-10(13(21)18(2)14(22)16-12)15-11(17-19)8-5-4-6-9(20)7-8/h4-7,20H,3H2,1-2H3
InChIKeyZHOGFCGNMBALEB-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.23
Rot. Bonds2

About 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 5039965) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID5039965
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCCn1nc(-c2cccc(O)c2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C14H13N5O3/c1-3-19-12-10(13(21)18(2)14(22)16-12)15-11(17-19)8-5-4-6-9(20)7-8/h4-7,20H,3H2,1-2H3
InChIKeyZHOGFCGNMBALEB-UHFFFAOYSA-N
XLogP0.23
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 5039965) is 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CCn1nc(-c2cccc(O)c2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is ZHOGFCGNMBALEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-3-19-12-10(13(21)18(2)14(22)16-12)15-11(17-19)8-5-4-6-9(20)7-8/h4-7,20H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 299.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 5039965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).