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

C8H8BrN5O2 — CID 167327371

IUPAC(5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cnc(Br)n2cnnc12
InChIInChI=1S/C8H8BrN5O2/c1-13(2)8(15)16-5-3-10-7(9)14-4-11-12-6(5)14/h3-4H,1-2H3
InChIKeyRZPNJZFERSBEID-UHFFFAOYSA-N
MW286.09 g/mol
LogP0.95
Rot. Bonds1

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

(5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate (PubChem CID 167327371) has the molecular formula C8H8BrN5O2 and a molecular weight of 286.09 g/mol. Its IUPAC name is (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate
PubChem CID167327371
Molecular FormulaC8H8BrN5O2
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name(5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cnc(Br)n2cnnc12
InChIInChI=1S/C8H8BrN5O2/c1-13(2)8(15)16-5-3-10-7(9)14-4-11-12-6(5)14/h3-4H,1-2H3
InChIKeyRZPNJZFERSBEID-UHFFFAOYSA-N
XLogP0.95
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate (CID 167327371) is (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1cnc(Br)n2cnnc12.
What is the InChIKey of (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate?
The InChIKey is RZPNJZFERSBEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2/c1-13(2)8(15)16-5-3-10-7(9)14-4-11-12-6(5)14/h3-4H,1-2H3.
What are the key properties of (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate?
(5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate has a molecular weight of 286.09 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 167327371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).