[3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol

C11H14BrN5O — CID 167473117

IUPAC[3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol
SMILESOCC1CCC(Nc2cncc3nc(Br)nn23)C1
InChIInChI=1S/C11H14BrN5O/c12-11-15-10-5-13-4-9(17(10)16-11)14-8-2-1-7(3-8)6-18/h4-5,7-8,14,18H,1-3,6H2
InChIKeyWEYQLYIOLZITDH-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.46
Rot. Bonds3

About [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol

[3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol (PubChem CID 167473117) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol
PubChem CID167473117
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name[3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol
SMILESOCC1CCC(Nc2cncc3nc(Br)nn23)C1
InChIInChI=1S/C11H14BrN5O/c12-11-15-10-5-13-4-9(17(10)16-11)14-8-2-1-7(3-8)6-18/h4-5,7-8,14,18H,1-3,6H2
InChIKeyWEYQLYIOLZITDH-UHFFFAOYSA-N
XLogP1.46
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol?
The IUPAC name of [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol (CID 167473117) is [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol is OCC1CCC(Nc2cncc3nc(Br)nn23)C1.
What is the InChIKey of [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol?
The InChIKey is WEYQLYIOLZITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c12-11-15-10-5-13-4-9(17(10)16-11)14-8-2-1-7(3-8)6-18/h4-5,7-8,14,18H,1-3,6H2.
What are the key properties of [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol?
[3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol has a molecular weight of 312.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromo-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 167473117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).