5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide

C7H9N5O2 — CID 168698653

IUPAC5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncn[nH]2)C1
InChIInChI=1S/C7H9N5O2/c8-6(14)4-1-5(13)12(2-4)7-9-3-10-11-7/h3-4H,1-2H2,(H2,8,14)(H,9,10,11)
InChIKeyOHSJXHBDDYTQNE-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.36
Rot. Bonds2

About 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide

5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 168698653) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID168698653
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncn[nH]2)C1
InChIInChI=1S/C7H9N5O2/c8-6(14)4-1-5(13)12(2-4)7-9-3-10-11-7/h3-4H,1-2H2,(H2,8,14)(H,9,10,11)
InChIKeyOHSJXHBDDYTQNE-UHFFFAOYSA-N
XLogP-1.36
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168704175
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697887
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide (CID 168698653) is 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ncn[nH]2)C1.
What is the InChIKey of 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is OHSJXHBDDYTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-6(14)4-1-5(13)12(2-4)7-9-3-10-11-7/h3-4H,1-2H2,(H2,8,14)(H,9,10,11).
What are the key properties of 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 195.18 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168698653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).