N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide

C13H21N5O2 — CID 61214363

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2nnc3n2CCC3)C1
InChIInChI=1S/C13H21N5O2/c1-17(13(19)10-6-9(20-2)7-14-10)8-12-16-15-11-4-3-5-18(11)12/h9-10,14H,3-8H2,1-2H3
InChIKeyLYMHXRCWFYWYKA-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.44
Rot. Bonds4

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 61214363) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID61214363
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2nnc3n2CCC3)C1
InChIInChI=1S/C13H21N5O2/c1-17(13(19)10-6-9(20-2)7-14-10)8-12-16-15-11-4-3-5-18(11)12/h9-10,14H,3-8H2,1-2H3
InChIKeyLYMHXRCWFYWYKA-UHFFFAOYSA-N
XLogP-0.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide (CID 61214363) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)Cc2nnc3n2CCC3)C1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LYMHXRCWFYWYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17(13(19)10-6-9(20-2)7-14-10)8-12-16-15-11-4-3-5-18(11)12/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61214363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).