6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 60965145

IUPAC6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCOC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-11(17)10(14-16(2)12(15)18)13-7-8-19-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyDNXSALNCBOHOLV-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.15
Rot. Bonds5

About 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60965145) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60965145
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCOC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-11(17)10(14-16(2)12(15)18)13-7-8-19-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyDNXSALNCBOHOLV-UHFFFAOYSA-N
XLogP-0.15
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60965145) is 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCOC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is DNXSALNCBOHOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15-11(17)10(14-16(2)12(15)18)13-7-8-19-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentyloxyethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60965145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).