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

C9H15N5O3 — CID 81217504

IUPAC6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC1COC(CN)CN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O3/c1-5-4-17-6(2-10)3-14(5)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16)
InChIKeyLQIVASFUYUEARS-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.99
Rot. Bonds2

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

6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 81217504) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID81217504
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC1COC(CN)CN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O3/c1-5-4-17-6(2-10)3-14(5)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16)
InChIKeyLQIVASFUYUEARS-UHFFFAOYSA-N
XLogP-1.99
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione (CID 81217504) is 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione is CC1COC(CN)CN1c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is LQIVASFUYUEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-5-4-17-6(2-10)3-14(5)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16).
What are the key properties of 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 241.25 g/mol, XLogP of -1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 81217504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).