6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C10H7N5O2S — CID 78408287

IUPAC6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN1C(=O)N=C2N=NC(c3cccs3)N=C2C1=O
InChIInChI=1S/C10H7N5O2S/c1-15-9(16)6-8(12-10(15)17)14-13-7(11-6)5-3-2-4-18-5/h2-4,7H,1H3
InChIKeyMDEYJEJOLYZFGK-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.64
Rot. Bonds1

About 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 78408287) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID78408287
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN1C(=O)N=C2N=NC(c3cccs3)N=C2C1=O
InChIInChI=1S/C10H7N5O2S/c1-15-9(16)6-8(12-10(15)17)14-13-7(11-6)5-3-2-4-18-5/h2-4,7H,1H3
InChIKeyMDEYJEJOLYZFGK-UHFFFAOYSA-N
XLogP1.64
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 78408287) is 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is CN1C(=O)N=C2N=NC(c3cccs3)N=C2C1=O.
What is the InChIKey of 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is MDEYJEJOLYZFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c1-15-9(16)6-8(12-10(15)17)14-13-7(11-6)5-3-2-4-18-5/h2-4,7H,1H3.
What are the key properties of 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 261.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-thiophen-2-yl-3H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 78408287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).