2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C9H16N4O2 — CID 103725332

IUPAC2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCOC(C)(C)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H16N4O2/c1-9(2,15-3)8(14)10-5-4-7-11-6-12-13-7/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13)
InChIKeyIVPVTGABCIHSCX-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.11
Rot. Bonds5

About 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 103725332) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID103725332
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCOC(C)(C)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H16N4O2/c1-9(2,15-3)8(14)10-5-4-7-11-6-12-13-7/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13)
InChIKeyIVPVTGABCIHSCX-UHFFFAOYSA-N
XLogP-0.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 103725332) is 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is COC(C)(C)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is IVPVTGABCIHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,15-3)8(14)10-5-4-7-11-6-12-13-7/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103725332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).