N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide

C7H9F3N6O — CID 75267745

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCNN1
InChIInChI=1S/C7H9F3N6O/c8-7(9,10)5-13-6(16-15-5)12-4(17)3-1-2-11-14-3/h3,11,14H,1-2H2,(H2,12,13,15,16,17)
InChIKeyOLQAFGBCIASAIM-UHFFFAOYSA-N
MW250.18 g/mol
LogP-0.37
Rot. Bonds2

About N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide (PubChem CID 75267745) has the molecular formula C7H9F3N6O and a molecular weight of 250.18 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide
PubChem CID75267745
Molecular FormulaC7H9F3N6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCNN1
InChIInChI=1S/C7H9F3N6O/c8-7(9,10)5-13-6(16-15-5)12-4(17)3-1-2-11-14-3/h3,11,14H,1-2H2,(H2,12,13,15,16,17)
InChIKeyOLQAFGBCIASAIM-UHFFFAOYSA-N
XLogP-0.37
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide (CID 75267745) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCNN1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide?
The InChIKey is OLQAFGBCIASAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N6O/c8-7(9,10)5-13-6(16-15-5)12-4(17)3-1-2-11-14-3/h3,11,14H,1-2H2,(H2,12,13,15,16,17).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide has a molecular weight of 250.18 g/mol, XLogP of -0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75267745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).