5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide

C10H13N5O2 — CID 106197453

IUPAC5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C1CC(NC(=O)c2n[nH]c(C3CC3)n2)CN1
InChIInChI=1S/C10H13N5O2/c16-7-3-6(4-11-7)12-10(17)9-13-8(14-15-9)5-1-2-5/h5-6H,1-4H2,(H,11,16)(H,12,17)(H,13,14,15)
InChIKeyXKHKELLFJRLCJT-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.70
Rot. Bonds3

About 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106197453) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID106197453
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C1CC(NC(=O)c2n[nH]c(C3CC3)n2)CN1
InChIInChI=1S/C10H13N5O2/c16-7-3-6(4-11-7)12-10(17)9-13-8(14-15-9)5-1-2-5/h5-6H,1-4H2,(H,11,16)(H,12,17)(H,13,14,15)
InChIKeyXKHKELLFJRLCJT-UHFFFAOYSA-N
XLogP-0.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide (CID 106197453) is 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide is O=C1CC(NC(=O)c2n[nH]c(C3CC3)n2)CN1.
What is the InChIKey of 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is XKHKELLFJRLCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-7-3-6(4-11-7)12-10(17)9-13-8(14-15-9)5-1-2-5/h5-6H,1-4H2,(H,11,16)(H,12,17)(H,13,14,15).
What are the key properties of 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-oxopyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106197453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).