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

C9H15N5O3 — CID 115315777

IUPAC6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC(N)C1CN(c2n[nH]c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C9H15N5O3/c1-5(10)6-4-14(2-3-17-6)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16)
InChIKeyOHYZUOITSFQMDU-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.99
Rot. Bonds2

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

6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 115315777) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID115315777
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC(N)C1CN(c2n[nH]c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C9H15N5O3/c1-5(10)6-4-14(2-3-17-6)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16)
InChIKeyOHYZUOITSFQMDU-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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Related Compounds

4-[2-(1-aminoethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979001
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 113285121
1-[4-(5-methyl-1H-imidazol-2-yl)morpholin-2-yl]ethanamine
CID 106553336
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 115300803
6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 103646748
1-[4-(4-methylphthalazin-1-yl)morpholin-2-yl]ethanamine
CID 115315817
1-[4-(3-fluoro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315766
1-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethanamine
CID 115315932
1-[4-(2,6-dimethyl-4-pyridinyl)morpholin-2-yl]ethanamine
CID 114272217
4-[2-(1-aminoethyl)morpholine-4-carbonyl]-1,3-dihydroimidazol-2-one
CID 113285001
6-[(3S)-3-hydroxypiperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 107225532

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione (CID 115315777) is 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione is CC(N)C1CN(c2n[nH]c(=O)[nH]c2=O)CCO1.
What is the InChIKey of 6-[2-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OHYZUOITSFQMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-5(10)6-4-14(2-3-17-6)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-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(1-aminoethyl)morpholin-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-(1-aminoethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115315777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).