2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine

C11H21FN4 — CID 112567896

IUPAC2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
SMILESCCCn1ncnc1CC(F)(CN)CCC
InChIInChI=1S/C11H21FN4/c1-3-5-11(12,8-13)7-10-14-9-15-16(10)6-4-2/h9H,3-8,13H2,1-2H3
InChIKeyFACJGJIINSIBLL-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.70
Rot. Bonds7

About 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine

2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine (PubChem CID 112567896) has the molecular formula C11H21FN4 and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
PubChem CID112567896
Molecular FormulaC11H21FN4
Molecular Weight228.31 g/mol
Exact Mass228.18
IUPAC Name2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
SMILESCCCn1ncnc1CC(F)(CN)CCC
InChIInChI=1S/C11H21FN4/c1-3-5-11(12,8-13)7-10-14-9-15-16(10)6-4-2/h9H,3-8,13H2,1-2H3
InChIKeyFACJGJIINSIBLL-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
(1S)-1-cyclopentyl-N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 137992965
1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
1-(2-Fluoroethyl)-3-heptyl-1,2,4-triazole
CID 21869096
3-Decyl-1-(2-fluoroethyl)-1,2,4-triazole
CID 21869107
[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 66759898
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
2-[2-(2-Fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-imine
CID 123905502
1-(2,2-Difluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500044

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
The IUPAC name of 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine (CID 112567896) is 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine is CCCn1ncnc1CC(F)(CN)CCC.
What is the InChIKey of 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
The InChIKey is FACJGJIINSIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN4/c1-3-5-11(12,8-13)7-10-14-9-15-16(10)6-4-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine has a molecular weight of 228.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 112567896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).