2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C9H12N6O3 — CID 62401710

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CCO)nn2)o1
InChIInChI=1S/C9H12N6O3/c1-6-11-13-9(18-6)10-8(17)5-15-4-7(2-3-16)12-14-15/h4,16H,2-3,5H2,1H3,(H,10,13,17)
InChIKeyGFAPEGIBPCXWFL-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.86
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 62401710) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID62401710
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CCO)nn2)o1
InChIInChI=1S/C9H12N6O3/c1-6-11-13-9(18-6)10-8(17)5-15-4-7(2-3-16)12-14-15/h4,16H,2-3,5H2,1H3,(H,10,13,17)
InChIKeyGFAPEGIBPCXWFL-UHFFFAOYSA-N
XLogP-0.86
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 62401710) is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2cc(CCO)nn2)o1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is GFAPEGIBPCXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-6-11-13-9(18-6)10-8(17)5-15-4-7(2-3-16)12-14-15/h4,16H,2-3,5H2,1H3,(H,10,13,17).
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 252.23 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 62401710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).