(2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide

C10H15N5O2 — CID 170519096

IUPAC(2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(C(=O)CCc2cn[nH]n2)CCCN1
InChIInChI=1S/C10H15N5O2/c11-9(17)10(4-1-5-12-10)8(16)3-2-7-6-13-15-14-7/h6,12H,1-5H2,(H2,11,17)(H,13,14,15)/t10-/m1/s1
InChIKeyUAIKUAWHWQPFMH-SNVBAGLBSA-N
MW237.26 g/mol
LogP-1.09
Rot. Bonds5

About (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide

(2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 170519096) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID170519096
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(C(=O)CCc2cn[nH]n2)CCCN1
InChIInChI=1S/C10H15N5O2/c11-9(17)10(4-1-5-12-10)8(16)3-2-7-6-13-15-14-7/h6,12H,1-5H2,(H2,11,17)(H,13,14,15)/t10-/m1/s1
InChIKeyUAIKUAWHWQPFMH-SNVBAGLBSA-N
XLogP-1.09
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide (CID 170519096) is (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide is NC(=O)[C@]1(C(=O)CCc2cn[nH]n2)CCCN1.
What is the InChIKey of (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UAIKUAWHWQPFMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-9(17)10(4-1-5-12-10)8(16)3-2-7-6-13-15-14-7/h6,12H,1-5H2,(H2,11,17)(H,13,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide?
(2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2H-triazol-4-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170519096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).