4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

C10H17N5O2 — CID 61214220

IUPAC4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2nncn2C)C1
InChIInChI=1S/C10H17N5O2/c1-15-6-13-14-9(15)5-12-10(16)8-3-7(17-2)4-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,16)
InChIKeyOPFFMWUKOHCOHS-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.19
Rot. Bonds4

About 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61214220) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID61214220
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2nncn2C)C1
InChIInChI=1S/C10H17N5O2/c1-15-6-13-14-9(15)5-12-10(16)8-3-7(17-2)4-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,16)
InChIKeyOPFFMWUKOHCOHS-UHFFFAOYSA-N
XLogP-1.19
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 61214220) is 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCc2nncn2C)C1.
What is the InChIKey of 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OPFFMWUKOHCOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-6-13-14-9(15)5-12-10(16)8-3-7(17-2)4-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).