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

C11H20N4O — CID 62535280

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C11H20N4O/c1-8(7-16-3)12-9(2)11-14-13-10-5-4-6-15(10)11/h8-9,12H,4-7H2,1-3H3
InChIKeyDKFXRZJVBAQGIV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds5

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 62535280) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID62535280
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C11H20N4O/c1-8(7-16-3)12-9(2)11-14-13-10-5-4-6-15(10)11/h8-9,12H,4-7H2,1-3H3
InChIKeyDKFXRZJVBAQGIV-UHFFFAOYSA-N
XLogP0.91
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine 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]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine (CID 62535280) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is DKFXRZJVBAQGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(7-16-3)12-9(2)11-14-13-10-5-4-6-15(10)11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 224.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-1-methoxypropan-2-amine is sourced from PubChem (CID 62535280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).