N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide

C13H21N5O2 — CID 61214029

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2nnc3n2CCC3)C1
InChIInChI=1S/C13H21N5O2/c1-8(12-17-16-11-4-3-5-18(11)12)15-13(19)10-6-9(20-2)7-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,19)
InChIKeyDOPFPUFCZDBZMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.22
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214029) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214029
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)c2nnc3n2CCC3)C1
InChIInChI=1S/C13H21N5O2/c1-8(12-17-16-11-4-3-5-18(11)12)15-13(19)10-6-9(20-2)7-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,19)
InChIKeyDOPFPUFCZDBZMG-UHFFFAOYSA-N
XLogP-0.22
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide (CID 61214029) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)c2nnc3n2CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is DOPFPUFCZDBZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(12-17-16-11-4-3-5-18(11)12)15-13(19)10-6-9(20-2)7-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,19).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).