3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C14H13N5O4 — CID 5378850

IUPAC3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCOc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1OC
InChIInChI=1S/C14H13N5O4/c1-19-13(20)10-12(16-14(19)21)18-17-11(15-10)7-4-5-8(22-2)9(6-7)23-3/h4-6H,1-3H3,(H,16,18,21)
InChIKeyUDNKVHLUAVTMMU-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.10
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 5378850) has the molecular formula C14H13N5O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID5378850
Molecular FormulaC14H13N5O4
Molecular Weight315.29 g/mol
Exact Mass315.10
IUPAC Name3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCOc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1OC
InChIInChI=1S/C14H13N5O4/c1-19-13(20)10-12(16-14(19)21)18-17-11(15-10)7-4-5-8(22-2)9(6-7)23-3/h4-6H,1-3H3,(H,16,18,21)
InChIKeyUDNKVHLUAVTMMU-UHFFFAOYSA-N
XLogP0.10
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 5378850) is 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is COc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is UDNKVHLUAVTMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4/c1-19-13(20)10-12(16-14(19)21)18-17-11(15-10)7-4-5-8(22-2)9(6-7)23-3/h4-6H,1-3H3,(H,16,18,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 315.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 5378850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).