N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C9H16N4O3 — CID 112603304

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1n[nH]c(NC(=O)COC(C)(C)C)n1
InChIInChI=1S/C9H16N4O3/c1-9(2,3)16-5-6(14)10-7-11-8(15-4)13-12-7/h5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyQEALGQVKVMFALP-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.57
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603304) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603304
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1n[nH]c(NC(=O)COC(C)(C)C)n1
InChIInChI=1S/C9H16N4O3/c1-9(2,3)16-5-6(14)10-7-11-8(15-4)13-12-7/h5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyQEALGQVKVMFALP-UHFFFAOYSA-N
XLogP0.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603304) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COc1n[nH]c(NC(=O)COC(C)(C)C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is QEALGQVKVMFALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-9(2,3)16-5-6(14)10-7-11-8(15-4)13-12-7/h5H2,1-4H3,(H2,10,11,12,13,14).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 228.25 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).