N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide

C9H14N4O2 — CID 78928233

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCCO2)n[nH]1
InChIInChI=1S/C9H14N4O2/c1-6-10-9(13-12-6)11-8(14)5-7-3-2-4-15-7/h7H,2-5H2,1H3,(H2,10,11,12,13,14)
InChIKeyIXZMGQLDQAOAME-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.62
Rot. Bonds3

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide (PubChem CID 78928233) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide
PubChem CID78928233
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCCO2)n[nH]1
InChIInChI=1S/C9H14N4O2/c1-6-10-9(13-12-6)11-8(14)5-7-3-2-4-15-7/h7H,2-5H2,1H3,(H2,10,11,12,13,14)
InChIKeyIXZMGQLDQAOAME-UHFFFAOYSA-N
XLogP0.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide (CID 78928233) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide is Cc1nc(NC(=O)CC2CCCO2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide?
The InChIKey is IXZMGQLDQAOAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-10-9(13-12-6)11-8(14)5-7-3-2-4-15-7/h7H,2-5H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide has a molecular weight of 210.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 78928233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).