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

C8H14N4O3 — CID 43410460

IUPAC6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O3/c1-11-7(14)6(9-4-3-5-13)10-12(2)8(11)15/h13H,3-5H2,1-2H3,(H,9,10)
InChIKeyQGLTVGNRVMTLJG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.73
Rot. Bonds4

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

6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43410460) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43410460
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O3/c1-11-7(14)6(9-4-3-5-13)10-12(2)8(11)15/h13H,3-5H2,1-2H3,(H,9,10)
InChIKeyQGLTVGNRVMTLJG-UHFFFAOYSA-N
XLogP-1.73
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
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-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43410460) is 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCCCO)c(=O)n(C)c1=O.
What is the InChIKey of 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is QGLTVGNRVMTLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-11-7(14)6(9-4-3-5-13)10-12(2)8(11)15/h13H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).