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

C9H15N5O3 — CID 78916178

IUPAC6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN1CCOC(CNc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H15N5O3/c1-14-2-3-17-6(5-14)4-10-7-8(15)11-9(16)13-12-7/h6H,2-5H2,1H3,(H,10,12)(H2,11,13,15,16)
InChIKeyNGTSJVZYZOCJDG-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.80
Rot. Bonds3

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

6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 78916178) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID78916178
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN1CCOC(CNc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H15N5O3/c1-14-2-3-17-6(5-14)4-10-7-8(15)11-9(16)13-12-7/h6H,2-5H2,1H3,(H,10,12)(H2,11,13,15,16)
InChIKeyNGTSJVZYZOCJDG-UHFFFAOYSA-N
XLogP-1.80
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 78916178) is 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione is CN1CCOC(CNc2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is NGTSJVZYZOCJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-14-2-3-17-6(5-14)4-10-7-8(15)11-9(16)13-12-7/h6H,2-5H2,1H3,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 241.25 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylmorpholin-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78916178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).