N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C7H11F3N6O — CID 79261784

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H11F3N6O/c1-4(6-13-15-16-14-6)12-5(17)2-11-3-7(8,9)10/h4,11H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyHUHZWHLINPWTHN-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.47
Rot. Bonds5

About N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261784) has the molecular formula C7H11F3N6O and a molecular weight of 252.20 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261784
Molecular FormulaC7H11F3N6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H11F3N6O/c1-4(6-13-15-16-14-6)12-5(17)2-11-3-7(8,9)10/h4,11H,2-3H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyHUHZWHLINPWTHN-UHFFFAOYSA-N
XLogP-0.47
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261784) is N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HUHZWHLINPWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N6O/c1-4(6-13-15-16-14-6)12-5(17)2-11-3-7(8,9)10/h4,11H,2-3H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 252.20 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).