N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide

C10H14F3N5O — CID 78968311

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-18-2-1-7(5-18)3-14-9(19)8-4-15-17-16-8/h4,7H,1-3,5-6H2,(H,14,19)(H,15,16,17)
InChIKeyGADZWIGTFWKHCM-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.42
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide (PubChem CID 78968311) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
PubChem CID78968311
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-18-2-1-7(5-18)3-14-9(19)8-4-15-17-16-8/h4,7H,1-3,5-6H2,(H,14,19)(H,15,16,17)
InChIKeyGADZWIGTFWKHCM-UHFFFAOYSA-N
XLogP0.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide (CID 78968311) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]n1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is GADZWIGTFWKHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)6-18-2-1-7(5-18)3-14-9(19)8-4-15-17-16-8/h4,7H,1-3,5-6H2,(H,14,19)(H,15,16,17).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).