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

C8H10F3N5O — CID 119264000

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCCN1
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)6-14-7(16-15-6)13-5(17)4-2-1-3-12-4/h4,12H,1-3H2,(H2,13,14,15,16,17)
InChIKeyAYWDXMDHHNVTGM-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.51
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 119264000) has the molecular formula C8H10F3N5O and a molecular weight of 249.20 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID119264000
Molecular FormulaC8H10F3N5O
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCCN1
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)6-14-7(16-15-6)13-5(17)4-2-1-3-12-4/h4,12H,1-3H2,(H2,13,14,15,16,17)
InChIKeyAYWDXMDHHNVTGM-UHFFFAOYSA-N
XLogP0.51
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanamide
CID 125518704
tert-butyl 2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 53563940
2-acetamido-3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 60402201
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolidine-3-carboxamide
CID 75267745
tert-butyl (2S)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 75466911
tert-butyl (2R)-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 95284984
3-amino-N-(5,5,5-trifluoropentyl)-1H-1,2,4-triazole-5-carboxamide
CID 115519445
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119263985
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide
CID 119263986
(2S)-2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 119263990
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263999
2-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 119264002

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide (CID 119264000) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCCN1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is AYWDXMDHHNVTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O/c9-8(10,11)6-14-7(16-15-6)13-5(17)4-2-1-3-12-4/h4,12H,1-3H2,(H2,13,14,15,16,17).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 249.20 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119264000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).