N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide

C7H7F3N4O — CID 106213868

IUPACN-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cn[nH]n1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)6(1-2-6)12-5(15)4-3-11-14-13-4/h3H,1-2H2,(H,12,15)(H,11,13,14)
InChIKeyJCKRSPGJIBOVCK-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.63
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide (PubChem CID 106213868) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide
PubChem CID106213868
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cn[nH]n1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)6(1-2-6)12-5(15)4-3-11-14-13-4/h3H,1-2H2,(H,12,15)(H,11,13,14)
InChIKeyJCKRSPGJIBOVCK-UHFFFAOYSA-N
XLogP0.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide (CID 106213868) is N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1cn[nH]n1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide?
The InChIKey is JCKRSPGJIBOVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)6(1-2-6)12-5(15)4-3-11-14-13-4/h3H,1-2H2,(H,12,15)(H,11,13,14).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 106213868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).