N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H20F3N5 — CID 62426485

IUPACN-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCn1cc(CNC)nn1)CC(F)(F)F
InChIInChI=1S/C11H20F3N5/c1-3-4-18(9-11(12,13)14)5-6-19-8-10(7-15-2)16-17-19/h8,15H,3-7,9H2,1-2H3
InChIKeyACLJVXXACKOLGU-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.27
Rot. Bonds8

About N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62426485) has the molecular formula C11H20F3N5 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62426485
Molecular FormulaC11H20F3N5
Molecular Weight279.31 g/mol
Exact Mass279.17
IUPAC NameN-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCn1cc(CNC)nn1)CC(F)(F)F
InChIInChI=1S/C11H20F3N5/c1-3-4-18(9-11(12,13)14)5-6-19-8-10(7-15-2)16-17-19/h8,15H,3-7,9H2,1-2H3
InChIKeyACLJVXXACKOLGU-UHFFFAOYSA-N
XLogP1.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62426485) is N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CCn1cc(CNC)nn1)CC(F)(F)F.
What is the InChIKey of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ACLJVXXACKOLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N5/c1-3-4-18(9-11(12,13)14)5-6-19-8-10(7-15-2)16-17-19/h8,15H,3-7,9H2,1-2H3.
What are the key properties of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62426485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).