8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C16H24N6O3 — CID 67308025

IUPAC8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN(C)CCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C16H24N6O3/c1-20(2)9-6-10-25-15-17-12-13(18-19-15)22(11-7-4-5-8-11)16(24)21(3)14(12)23/h11H,4-10H2,1-3H3
InChIKeyMWEGLCKIMIFWSG-UHFFFAOYSA-N
MW348.41 g/mol
LogP0.33
Rot. Bonds6

About 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67308025) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67308025
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN(C)CCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1
InChIInChI=1S/C16H24N6O3/c1-20(2)9-6-10-25-15-17-12-13(18-19-15)22(11-7-4-5-8-11)16(24)21(3)14(12)23/h11H,4-10H2,1-3H3
InChIKeyMWEGLCKIMIFWSG-UHFFFAOYSA-N
XLogP0.33
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67308025) is 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is CN(C)CCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2C1CCCC1.
What is the InChIKey of 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is MWEGLCKIMIFWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-20(2)9-6-10-25-15-17-12-13(18-19-15)22(11-7-4-5-8-11)16(24)21(3)14(12)23/h11H,4-10H2,1-3H3.
What are the key properties of 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 348.41 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-3-[3-(dimethylamino)propoxy]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67308025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).