6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C8H8BrN5O2 — CID 110903679

IUPAC6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCO)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C8H8BrN5O2/c9-5-3-11-8-12-6(13-14(8)4-5)7(16)10-1-2-15/h3-4,15H,1-2H2,(H,10,16)
InChIKeyADVVPVLDLWXOLB-UHFFFAOYSA-N
MW286.09 g/mol
LogP-0.39
Rot. Bonds3

About 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 110903679) has the molecular formula C8H8BrN5O2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID110903679
Molecular FormulaC8H8BrN5O2
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCO)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C8H8BrN5O2/c9-5-3-11-8-12-6(13-14(8)4-5)7(16)10-1-2-15/h3-4,15H,1-2H2,(H,10,16)
InChIKeyADVVPVLDLWXOLB-UHFFFAOYSA-N
XLogP-0.39
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 110903679) is 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCO)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ADVVPVLDLWXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2/c9-5-3-11-8-12-6(13-14(8)4-5)7(16)10-1-2-15/h3-4,15H,1-2H2,(H,10,16).
What are the key properties of 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 286.09 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 110903679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).