4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione

C9H17N3O3 — CID 106146156

IUPAC4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
SMILESCC(C)(CCCO)Cn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C9H17N3O3/c1-9(2,4-3-5-13)6-12-7(14)10-11-8(12)15/h13H,3-6H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyAVSSVYBRLLNIEE-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.34
Rot. Bonds5

About 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione

4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 106146156) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
PubChem CID106146156
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
SMILESCC(C)(CCCO)Cn1c(=O)[nH][nH]c1=O
InChIInChI=1S/C9H17N3O3/c1-9(2,4-3-5-13)6-12-7(14)10-11-8(12)15/h13H,3-6H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyAVSSVYBRLLNIEE-UHFFFAOYSA-N
XLogP-0.34
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
CID 106146212
1-(5-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridin-4-one
CID 106146133
4-(2,3-dihydroxy-2-methylpropyl)-1,2,4-triazolidine-3,5-dione
CID 107409950
4-(2-hydroxy-2-methylbutyl)-1,2,4-triazolidine-3,5-dione
CID 107409933
4-(2-hydroxy-2,4-dimethylpentyl)-1,2,4-triazolidine-3,5-dione
CID 107409948
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
1-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylpyridin-4-one
CID 106145926
5-chloro-4,4-dimethylpentan-1-ol
CID 139625740
2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 106146222
4-(1,3-dihydroxy-2-methylpropan-2-yl)-1,2,4-triazolidine-3,5-dione
CID 107409960
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4-dimethylpentan-1-ol
CID 106146168
5-ethyl-4-hydroxy-3-[8-(10-hydroxy-5,5-dimethyldecoxy)-4,4-dimethyloctyl]-1H-imidazol-2-one
CID 91468119

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione (CID 106146156) is 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione is CC(C)(CCCO)Cn1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is AVSSVYBRLLNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,4-3-5-13)6-12-7(14)10-11-8(12)15/h13H,3-6H2,1-2H3,(H,10,14)(H,11,15).
What are the key properties of 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione?
4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 215.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2,2-dimethylpentyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 106146156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).