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

C19H15N5O3 — CID 73350957

IUPAC3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCOc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N5O3/c1-23-18(25)15-17(21-19(23)26)24(13-6-4-3-5-7-13)22-16(20-15)12-8-10-14(27-2)11-9-12/h3-11H,1-2H3
InChIKeyJAIGDRNZUDSMNO-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.50
Rot. Bonds3

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

3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 73350957) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID73350957
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCOc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N5O3/c1-23-18(25)15-17(21-19(23)26)24(13-6-4-3-5-7-13)22-16(20-15)12-8-10-14(27-2)11-9-12/h3-11H,1-2H3
InChIKeyJAIGDRNZUDSMNO-UHFFFAOYSA-N
XLogP1.50
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 73350957) is 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is JAIGDRNZUDSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-23-18(25)15-17(21-19(23)26)24(13-6-4-3-5-7-13)22-16(20-15)12-8-10-14(27-2)11-9-12/h3-11H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 361.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-1-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 73350957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).