N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine

C14H16FN5 — CID 22335542

IUPACN-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2F)nc2nc[nH]n12
InChIInChI=1S/C14H16FN5/c1-14(2,3)19-12-11(9-6-4-5-7-10(9)15)18-13-16-8-17-20(12)13/h4-8,19H,1-3H3,(H,16,17,18)
InChIKeySMYDUHQRRFGFKS-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.07
Rot. Bonds2

About N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine

N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine (PubChem CID 22335542) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine
PubChem CID22335542
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC NameN-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2F)nc2nc[nH]n12
InChIInChI=1S/C14H16FN5/c1-14(2,3)19-12-11(9-6-4-5-7-10(9)15)18-13-16-8-17-20(12)13/h4-8,19H,1-3H3,(H,16,17,18)
InChIKeySMYDUHQRRFGFKS-UHFFFAOYSA-N
XLogP3.07
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine?
The IUPAC name of N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine (CID 22335542) is N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine is CC(C)(C)Nc1c(-c2ccccc2F)nc2nc[nH]n12.
What is the InChIKey of N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine?
The InChIKey is SMYDUHQRRFGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-14(2,3)19-12-11(9-6-4-5-7-10(9)15)18-13-16-8-17-20(12)13/h4-8,19H,1-3H3,(H,16,17,18).
What are the key properties of N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine?
N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine has a molecular weight of 273.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-fluorophenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 22335542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).