[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine

C11H15BrN6 — CID 139427795

IUPAC[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncc(Br)c3nncn23)CC1
InChIInChI=1S/C11H15BrN6/c12-9-6-14-11(18-7-15-16-10(9)18)17-3-1-8(5-13)2-4-17/h6-8H,1-5,13H2
InChIKeyXUYDNHBDYBZOAC-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.06
Rot. Bonds2

About [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine

[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine (PubChem CID 139427795) has the molecular formula C11H15BrN6 and a molecular weight of 311.19 g/mol. Its IUPAC name is [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine
PubChem CID139427795
Molecular FormulaC11H15BrN6
Molecular Weight311.19 g/mol
Exact Mass310.05
IUPAC Name[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncc(Br)c3nncn23)CC1
InChIInChI=1S/C11H15BrN6/c12-9-6-14-11(18-7-15-16-10(9)18)17-3-1-8(5-13)2-4-17/h6-8H,1-5,13H2
InChIKeyXUYDNHBDYBZOAC-UHFFFAOYSA-N
XLogP1.06
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine (CID 139427795) is [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine is NCC1CCN(c2ncc(Br)c3nncn23)CC1.
What is the InChIKey of [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine?
The InChIKey is XUYDNHBDYBZOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6/c12-9-6-14-11(18-7-15-16-10(9)18)17-3-1-8(5-13)2-4-17/h6-8H,1-5,13H2.
What are the key properties of [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine?
[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine has a molecular weight of 311.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 139427795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).