5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one

C6H12N4O2 — CID 135407510

IUPAC5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
SMILESCN(C)c1nn(CCO)c(=O)[nH]1
InChIInChI=1S/C6H12N4O2/c1-9(2)5-7-6(12)10(8-5)3-4-11/h11H,3-4H2,1-2H3,(H,7,8,12)
InChIKeyHXMRMHGBBVUCEL-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.37
Rot. Bonds3

About 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one

5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one (PubChem CID 135407510) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
PubChem CID135407510
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
SMILESCN(C)c1nn(CCO)c(=O)[nH]1
InChIInChI=1S/C6H12N4O2/c1-9(2)5-7-6(12)10(8-5)3-4-11/h11H,3-4H2,1-2H3,(H,7,8,12)
InChIKeyHXMRMHGBBVUCEL-UHFFFAOYSA-N
XLogP-1.37
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Hydroxyethyl)-4-methyl-1,2,4-triazol-3-one
CID 81948449
2-(2-hydroxyethyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 136329547
2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 137241756
2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one
CID 137243365

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one (CID 135407510) is 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one is CN(C)c1nn(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is HXMRMHGBBVUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-9(2)5-7-6(12)10(8-5)3-4-11/h11H,3-4H2,1-2H3,(H,7,8,12).
What are the key properties of 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 172.19 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135407510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).