6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione

C9H15N5O3 — CID 43410635

IUPAC6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O3/c15-8-7(12-13-9(16)11-8)10-1-2-14-3-5-17-6-4-14/h1-6H2,(H,10,12)(H2,11,13,15,16)
InChIKeyRNDBZPWRAUMXDK-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.80
Rot. Bonds4

About 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione

6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410635) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410635
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H15N5O3/c15-8-7(12-13-9(16)11-8)10-1-2-14-3-5-17-6-4-14/h1-6H2,(H,10,12)(H2,11,13,15,16)
InChIKeyRNDBZPWRAUMXDK-UHFFFAOYSA-N
XLogP-1.80
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410635) is 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCN2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is RNDBZPWRAUMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c15-8-7(12-13-9(16)11-8)10-1-2-14-3-5-17-6-4-14/h1-6H2,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 241.25 g/mol, XLogP of -1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).