5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol

C15H13ClFN5O — CID 177182465

IUPAC5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(N2CCC(F)C2)c2nccn12
InChIInChI=1S/C15H13ClFN5O/c16-9-1-2-11(12(23)7-9)13-19-20-15(14-18-4-6-22(13)14)21-5-3-10(17)8-21/h1-2,4,6-7,10,23H,3,5,8H2
InChIKeyQGLMKQDIWXCCQK-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol

5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol (PubChem CID 177182465) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
PubChem CID177182465
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(N2CCC(F)C2)c2nccn12
InChIInChI=1S/C15H13ClFN5O/c16-9-1-2-11(12(23)7-9)13-19-20-15(14-18-4-6-22(13)14)21-5-3-10(17)8-21/h1-2,4,6-7,10,23H,3,5,8H2
InChIKeyQGLMKQDIWXCCQK-UHFFFAOYSA-N
XLogP2.70
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The IUPAC name of 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol (CID 177182465) is 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol.
What is the SMILES notation for 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The canonical SMILES for 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol is Oc1cc(Cl)ccc1-c1nnc(N2CCC(F)C2)c2nccn12.
What is the InChIKey of 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
The InChIKey is QGLMKQDIWXCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c16-9-1-2-11(12(23)7-9)13-19-20-15(14-18-4-6-22(13)14)21-5-3-10(17)8-21/h1-2,4,6-7,10,23H,3,5,8H2.
What are the key properties of 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol?
5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol has a molecular weight of 333.75 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol is sourced from PubChem (CID 177182465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).