2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

C11H14FN5 — CID 83125748

IUPAC2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(C)(N)c1ccc(F)cn1
InChIInChI=1S/C11H14FN5/c1-11(13,5-10-15-7-16-17(10)2)9-4-3-8(12)6-14-9/h3-4,6-7H,5,13H2,1-2H3
InChIKeyNERPVPWVJRNUDC-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.77
Rot. Bonds3

About 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 83125748) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID83125748
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(C)(N)c1ccc(F)cn1
InChIInChI=1S/C11H14FN5/c1-11(13,5-10-15-7-16-17(10)2)9-4-3-8(12)6-14-9/h3-4,6-7H,5,13H2,1-2H3
InChIKeyNERPVPWVJRNUDC-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 83125748) is 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1ncnc1CC(C)(N)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is NERPVPWVJRNUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-11(13,5-10-15-7-16-17(10)2)9-4-3-8(12)6-14-9/h3-4,6-7H,5,13H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 235.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 83125748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).