N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H11F3N4O2 — CID 103711161

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)COCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15(2-6-12-5-13-14-6)7(16)3-17-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyQGKVJDDALQAPNS-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.34
Rot. Bonds5

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103711161) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103711161
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)COCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15(2-6-12-5-13-14-6)7(16)3-17-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyQGKVJDDALQAPNS-UHFFFAOYSA-N
XLogP0.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103711161) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CN(Cc1ncn[nH]1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QGKVJDDALQAPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-15(2-6-12-5-13-14-6)7(16)3-17-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103711161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).