5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C10H12F3N5O2 — CID 60981869

IUPAC5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)4-18-3-6(1-8(18)19)9(20)14-2-7-15-5-16-17-7/h5-6H,1-4H2,(H,14,20)(H,15,16,17)
InChIKeyIPOHZBLKNFPVKC-UHFFFAOYSA-N
MW291.23 g/mol
LogP-0.17
Rot. Bonds4

About 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 60981869) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID60981869
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)4-18-3-6(1-8(18)19)9(20)14-2-7-15-5-16-17-7/h5-6H,1-4H2,(H,14,20)(H,15,16,17)
InChIKeyIPOHZBLKNFPVKC-UHFFFAOYSA-N
XLogP-0.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94867424
(3S)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 36887346
(3R)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 36887352
1-(2-methylpropyl)-5-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 45811381
1-(cyclopropylmethyl)-5-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 45814400
5-oxo-1-propan-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 45814401
5-oxo-N-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45814572
1-cyclopropyl-5-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 53504209
5-oxo-1-(2,2,2-trifluoroethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 53504579
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 53518701
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709851
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710054

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 60981869) is 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCc1ncn[nH]1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is IPOHZBLKNFPVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2/c11-10(12,13)4-18-3-6(1-8(18)19)9(20)14-2-7-15-5-16-17-7/h5-6H,1-4H2,(H,14,20)(H,15,16,17).
What are the key properties of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 291.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).