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

C10H12BrN5O2 — CID 110000870

IUPAC6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C10H12BrN5O2/c1-10(2,5-17)14-8(18)7-13-9-12-3-6(11)4-16(9)15-7/h3-4,17H,5H2,1-2H3,(H,14,18)
InChIKeyXQCOIOADUMIELA-UHFFFAOYSA-N
MW314.14 g/mol
LogP0.39
Rot. Bonds3

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

6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 110000870) has the molecular formula C10H12BrN5O2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID110000870
Molecular FormulaC10H12BrN5O2
Molecular Weight314.14 g/mol
Exact Mass313.02
IUPAC Name6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C10H12BrN5O2/c1-10(2,5-17)14-8(18)7-13-9-12-3-6(11)4-16(9)15-7/h3-4,17H,5H2,1-2H3,(H,14,18)
InChIKeyXQCOIOADUMIELA-UHFFFAOYSA-N
XLogP0.39
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 110000870) is 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)(CO)NC(=O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XQCOIOADUMIELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2/c1-10(2,5-17)14-8(18)7-13-9-12-3-6(11)4-16(9)15-7/h3-4,17H,5H2,1-2H3,(H,14,18).
What are the key properties of 6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 314.14 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-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 110000870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).