N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine

C13H22F3N5 — CID 62426664

IUPACN-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCCN(CCn1cc(CNC2CC2)nn1)CC(F)(F)F
InChIInChI=1S/C13H22F3N5/c1-2-5-20(10-13(14,15)16)6-7-21-9-12(18-19-21)8-17-11-3-4-11/h9,11,17H,2-8,10H2,1H3
InChIKeyYSEZKXYNYIHKKS-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.80
Rot. Bonds9

About N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62426664) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62426664
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC NameN-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCCN(CCn1cc(CNC2CC2)nn1)CC(F)(F)F
InChIInChI=1S/C13H22F3N5/c1-2-5-20(10-13(14,15)16)6-7-21-9-12(18-19-21)8-17-11-3-4-11/h9,11,17H,2-8,10H2,1H3
InChIKeyYSEZKXYNYIHKKS-UHFFFAOYSA-N
XLogP1.80
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62426664) is N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CCCN(CCn1cc(CNC2CC2)nn1)CC(F)(F)F.
What is the InChIKey of N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YSEZKXYNYIHKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-2-5-20(10-13(14,15)16)6-7-21-9-12(18-19-21)8-17-11-3-4-11/h9,11,17H,2-8,10H2,1H3.
What are the key properties of N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 305.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62426664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).