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

C10H18N4O3 — CID 61146518

IUPAC6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-7(2)14(5-6-15)8-9(16)12(3)10(17)13(4)11-8/h7,15H,5-6H2,1-4H3
InChIKeyAFQMSCUPDJBXHW-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.31
Rot. Bonds4

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

6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61146518) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61146518
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-7(2)14(5-6-15)8-9(16)12(3)10(17)13(4)11-8/h7,15H,5-6H2,1-4H3
InChIKeyAFQMSCUPDJBXHW-UHFFFAOYSA-N
XLogP-1.31
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61146518) is 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(C)N(CCO)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is AFQMSCUPDJBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)14(5-6-15)8-9(16)12(3)10(17)13(4)11-8/h7,15H,5-6H2,1-4H3.
What are the key properties of 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(propan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61146518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).