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

C10H17N5O2 — CID 103833385

IUPAC4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2ncn[nH]2)C1
InChIInChI=1S/C10H17N5O2/c1-6(9-12-5-13-15-9)14-10(16)8-3-7(17-2)4-11-8/h5-8,11H,3-4H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyOSXBDOGLGSDUKK-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.64
Rot. Bonds4

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

4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 103833385) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID103833385
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2ncn[nH]2)C1
InChIInChI=1S/C10H17N5O2/c1-6(9-12-5-13-15-9)14-10(16)8-3-7(17-2)4-11-8/h5-8,11H,3-4H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyOSXBDOGLGSDUKK-UHFFFAOYSA-N
XLogP-0.64
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 103833385) is 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)c2ncn[nH]2)C1.
What is the InChIKey of 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OSXBDOGLGSDUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(9-12-5-13-15-9)14-10(16)8-3-7(17-2)4-11-8/h5-8,11H,3-4H2,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103833385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).