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

C10H18N4O3 — CID 103895961

IUPAC6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(CCCO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,4-3-5-15)6-11-7-8(16)12-9(17)14-13-7/h15H,3-6H2,1-2H3,(H,11,13)(H2,12,14,16,17)
InChIKeyPYIMPCWAEKYQBJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.33
Rot. Bonds6

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

6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103895961) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103895961
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(CCCO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,4-3-5-15)6-11-7-8(16)12-9(17)14-13-7/h15H,3-6H2,1-2H3,(H,11,13)(H2,12,14,16,17)
InChIKeyPYIMPCWAEKYQBJ-UHFFFAOYSA-N
XLogP-0.33
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

6-[3-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60723279
6-[(1-hydroxy-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61246007
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 79479317
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103703930
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103705310
6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103746149
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103844412
6-[(5-Hydroxy-4-methylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103858490
6-[(5-hydroxy-4-methylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103858533
6-[(5-Hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103896020

Frequently Asked Questions

What is the IUPAC name of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 103895961) is 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)(CCCO)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PYIMPCWAEKYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,4-3-5-15)6-11-7-8(16)12-9(17)14-13-7/h15H,3-6H2,1-2H3,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103895961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).