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

C10H18N4O3 — CID 66178808

IUPAC6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(C)(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-6(2)4-10(3,17)5-11-7-8(15)12-9(16)14-13-7/h6,17H,4-5H2,1-3H3,(H,11,13)(H2,12,14,15,16)
InChIKeyHGVWLOIONCTQGL-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.33
Rot. Bonds5

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

6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 66178808) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID66178808
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(C)(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-6(2)4-10(3,17)5-11-7-8(15)12-9(16)14-13-7/h6,17H,4-5H2,1-3H3,(H,11,13)(H2,12,14,15,16)
InChIKeyHGVWLOIONCTQGL-UHFFFAOYSA-N
XLogP-0.33
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 66178808) is 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)CC(C)(O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is HGVWLOIONCTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-6(2)4-10(3,17)5-11-7-8(15)12-9(16)14-13-7/h6,17H,4-5H2,1-3H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66178808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).