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

C8H14N4O3 — CID 61425425

IUPAC6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCCN(CCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-2-3-12(4-5-13)6-7(14)9-8(15)11-10-6/h13H,2-5H2,1H3,(H2,9,11,14,15)
InChIKeyNPWUZLLRONQJAA-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.33
Rot. Bonds5

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

6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61425425) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID61425425
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCCN(CCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-2-3-12(4-5-13)6-7(14)9-8(15)11-10-6/h13H,2-5H2,1H3,(H2,9,11,14,15)
InChIKeyNPWUZLLRONQJAA-UHFFFAOYSA-N
XLogP-1.33
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 61425425) is 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione is CCCN(CCO)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is NPWUZLLRONQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-2-3-12(4-5-13)6-7(14)9-8(15)11-10-6/h13H,2-5H2,1H3,(H2,9,11,14,15).
What are the key properties of 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(propyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61425425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).