N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

C9H17FN4 — CID 80698454

IUPACN-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(CCF)nn1
InChIInChI=1S/C9H17FN4/c1-8(2)5-11-6-9-7-14(4-3-10)13-12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyQVQPEJUGMLFYFN-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.99
Rot. Bonds6

About N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80698454) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID80698454
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC NameN-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(CCF)nn1
InChIInChI=1S/C9H17FN4/c1-8(2)5-11-6-9-7-14(4-3-10)13-12-9/h7-8,11H,3-6H2,1-2H3
InChIKeyQVQPEJUGMLFYFN-UHFFFAOYSA-N
XLogP0.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 80698454) is N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(CCF)nn1.
What is the InChIKey of N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QVQPEJUGMLFYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-8(2)5-11-6-9-7-14(4-3-10)13-12-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 200.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80698454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).