6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H18N4O4 — CID 78929464

IUPAC6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(O)CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O4/c1-14-9(16)8(13-15(2)10(14)17)12-7-11(18)3-5-19-6-4-11/h18H,3-7H2,1-2H3,(H,12,13)
InChIKeyCEGBZWAILLQJLD-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.57
Rot. Bonds3

About 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 78929464) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID78929464
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2(O)CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O4/c1-14-9(16)8(13-15(2)10(14)17)12-7-11(18)3-5-19-6-4-11/h18H,3-7H2,1-2H3,(H,12,13)
InChIKeyCEGBZWAILLQJLD-UHFFFAOYSA-N
XLogP-1.57
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 78929464) is 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2(O)CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is CEGBZWAILLQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-14-9(16)8(13-15(2)10(14)17)12-7-11(18)3-5-19-6-4-11/h18H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 270.29 g/mol, XLogP of -1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyoxan-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78929464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).