N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine

C12H20N4O2 — CID 63556927

IUPACN-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)nnn1CCOC1CCOC1
InChIInChI=1S/C12H20N4O2/c1-2-10(1)13-7-11-8-16(15-14-11)4-6-18-12-3-5-17-9-12/h8,10,12-13H,1-7,9H2
InChIKeyLKHQGYSPBUVWLP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds7

About N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 63556927) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID63556927
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)nnn1CCOC1CCOC1
InChIInChI=1S/C12H20N4O2/c1-2-10(1)13-7-11-8-16(15-14-11)4-6-18-12-3-5-17-9-12/h8,10,12-13H,1-7,9H2
InChIKeyLKHQGYSPBUVWLP-UHFFFAOYSA-N
XLogP0.34
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine 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-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 63556927) is N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is c1c(CNC2CC2)nnn1CCOC1CCOC1.
What is the InChIKey of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is LKHQGYSPBUVWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-10(1)13-7-11-8-16(15-14-11)4-6-18-12-3-5-17-9-12/h8,10,12-13H,1-7,9H2.
What are the key properties of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 252.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63556927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).