6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione

C10H18N4O3 — CID 113244301

IUPAC6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCCC(CCO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-2-3-7(4-5-15)6-11-8-9(16)12-10(17)14-13-8/h7,15H,2-6H2,1H3,(H,11,13)(H2,12,14,16,17)
InChIKeyGIELKZJOOHJMSE-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.33
Rot. Bonds7

About 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione

6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 113244301) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID113244301
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCCC(CCO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-2-3-7(4-5-15)6-11-8-9(16)12-10(17)14-13-8/h7,15H,2-6H2,1H3,(H,11,13)(H2,12,14,16,17)
InChIKeyGIELKZJOOHJMSE-UHFFFAOYSA-N
XLogP-0.33
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione (CID 113244301) is 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione is CCCC(CCO)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GIELKZJOOHJMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-3-7(4-5-15)6-11-8-9(16)12-10(17)14-13-8/h7,15H,2-6H2,1H3,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)pentylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).