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

C10H18N4O3 — CID 54998910

IUPAC6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC(CC)N(CCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-3-7(4-2)14(5-6-15)8-9(16)11-10(17)13-12-8/h7,15H,3-6H2,1-2H3,(H2,11,13,16,17)
InChIKeyMXHIOWYTISOLKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.55
Rot. Bonds6

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

6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 54998910) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID54998910
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC(CC)N(CCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-3-7(4-2)14(5-6-15)8-9(16)11-10(17)13-12-8/h7,15H,3-6H2,1-2H3,(H2,11,13,16,17)
InChIKeyMXHIOWYTISOLKB-UHFFFAOYSA-N
XLogP-0.55
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 54998910) is 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is CCC(CC)N(CCO)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MXHIOWYTISOLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-7(4-2)14(5-6-15)8-9(16)11-10(17)13-12-8/h7,15H,3-6H2,1-2H3,(H2,11,13,16,17).
What are the key properties of 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(pentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54998910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).