N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine

C13H17N5O — CID 62451750

IUPACN-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1cncc(OCCn2cc(CNC3CC3)nn2)c1
InChIInChI=1S/C13H17N5O/c1-2-13(9-14-5-1)19-7-6-18-10-12(16-17-18)8-15-11-3-4-11/h1-2,5,9-11,15H,3-4,6-8H2
InChIKeyRREUKJUDDPZHFX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.00
Rot. Bonds7

About N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62451750) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID62451750
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1cncc(OCCn2cc(CNC3CC3)nn2)c1
InChIInChI=1S/C13H17N5O/c1-2-13(9-14-5-1)19-7-6-18-10-12(16-17-18)8-15-11-3-4-11/h1-2,5,9-11,15H,3-4,6-8H2
InChIKeyRREUKJUDDPZHFX-UHFFFAOYSA-N
XLogP1.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-pyridin-3-yloxyethyl)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-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine (CID 62451750) is N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine is c1cncc(OCCn2cc(CNC3CC3)nn2)c1.
What is the InChIKey of N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is RREUKJUDDPZHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-13(9-14-5-1)19-7-6-18-10-12(16-17-18)8-15-11-3-4-11/h1-2,5,9-11,15H,3-4,6-8H2.
What are the key properties of N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 259.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62451750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).