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

C10H17N5O3 — CID 43410709

IUPAC6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCCN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c16-9-8(13-14-10(17)12-9)11-2-1-3-15-4-6-18-7-5-15/h1-7H2,(H,11,13)(H2,12,14,16,17)
InChIKeyCPKGZLXRPMRABZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.41
Rot. Bonds5

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

6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410709) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410709
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCCN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c16-9-8(13-14-10(17)12-9)11-2-1-3-15-4-6-18-7-5-15/h1-7H2,(H,11,13)(H2,12,14,16,17)
InChIKeyCPKGZLXRPMRABZ-UHFFFAOYSA-N
XLogP-1.41
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410709) is 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCCN2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CPKGZLXRPMRABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c16-9-8(13-14-10(17)12-9)11-2-1-3-15-4-6-18-7-5-15/h1-7H2,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.28 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).