2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine

C11H19N5 — CID 136837600

IUPAC2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine
SMILESNCCc1nc2n(n1)C1CCCCC1CN2
InChIInChI=1S/C11H19N5/c12-6-5-10-14-11-13-7-8-3-1-2-4-9(8)16(11)15-10/h8-9H,1-7,12H2,(H,13,14,15)
InChIKeyKUWGNKSFGQSTQN-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.94
Rot. Bonds2

About 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine

2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine (PubChem CID 136837600) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine
PubChem CID136837600
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine
SMILESNCCc1nc2n(n1)C1CCCCC1CN2
InChIInChI=1S/C11H19N5/c12-6-5-10-14-11-13-7-8-3-1-2-4-9(8)16(11)15-10/h8-9H,1-7,12H2,(H,13,14,15)
InChIKeyKUWGNKSFGQSTQN-UHFFFAOYSA-N
XLogP0.94
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine 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 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine?
The IUPAC name of 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine (CID 136837600) is 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine.
What is the SMILES notation for 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine?
The canonical SMILES for 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine is NCCc1nc2n(n1)C1CCCCC1CN2.
What is the InChIKey of 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine?
The InChIKey is KUWGNKSFGQSTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-6-5-10-14-11-13-7-8-3-1-2-4-9(8)16(11)15-10/h8-9H,1-7,12H2,(H,13,14,15).
What are the key properties of 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine?
2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine has a molecular weight of 221.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-yl)ethanamine is sourced from PubChem (CID 136837600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).