N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C12H20F3N5 — CID 62426644

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C12H20F3N5/c1-2-16-7-10-8-20(18-17-10)6-5-19(11-3-4-11)9-12(13,14)15/h8,11,16H,2-7,9H2,1H3
InChIKeyTZHYWZSIDIAMGZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.41
Rot. Bonds8

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

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62426644) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62426644
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C12H20F3N5/c1-2-16-7-10-8-20(18-17-10)6-5-19(11-3-4-11)9-12(13,14)15/h8,11,16H,2-7,9H2,1H3
InChIKeyTZHYWZSIDIAMGZ-UHFFFAOYSA-N
XLogP1.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62426644) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is TZHYWZSIDIAMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-2-16-7-10-8-20(18-17-10)6-5-19(11-3-4-11)9-12(13,14)15/h8,11,16H,2-7,9H2,1H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 291.32 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62426644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).