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

C10H18N4O3 — CID 60964349

IUPAC6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCOCCCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-13-9(15)8(12-14(2)10(13)16)11-6-4-5-7-17-3/h4-7H2,1-3H3,(H,11,12)
InChIKeyUOFAHBFGDPNMES-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.68
Rot. Bonds6

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

6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60964349) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60964349
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCOCCCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-13-9(15)8(12-14(2)10(13)16)11-6-4-5-7-17-3/h4-7H2,1-3H3,(H,11,12)
InChIKeyUOFAHBFGDPNMES-UHFFFAOYSA-N
XLogP-0.68
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.68
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-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60964349) is 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is COCCCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is UOFAHBFGDPNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-13-9(15)8(12-14(2)10(13)16)11-6-4-5-7-17-3/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60964349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).