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

C11H18N4O3 — CID 54998815

IUPAC6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N(CCO)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-7-6-15(8-4-2-1-3-5-8)9-10(17)12-11(18)14-13-9/h8,16H,1-7H2,(H2,12,14,17,18)
InChIKeyGNWLUXJNWHQSIS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.41
Rot. Bonds4

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

6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 54998815) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID54998815
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N(CCO)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-7-6-15(8-4-2-1-3-5-8)9-10(17)12-11(18)14-13-9/h8,16H,1-7H2,(H2,12,14,17,18)
InChIKeyGNWLUXJNWHQSIS-UHFFFAOYSA-N
XLogP-0.41
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 54998815) is 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N(CCO)C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GNWLUXJNWHQSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-7-6-15(8-4-2-1-3-5-8)9-10(17)12-11(18)14-13-9/h8,16H,1-7H2,(H2,12,14,17,18).
What are the key properties of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54998815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).