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

C9H10BrN5O2 — CID 110903739

IUPAC6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(O)CNC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C9H10BrN5O2/c1-5(16)2-11-8(17)7-13-9-12-3-6(10)4-15(9)14-7/h3-5,16H,2H2,1H3,(H,11,17)
InChIKeyMYOWLSQJAVWMIP-UHFFFAOYSA-N
MW300.12 g/mol
LogP-0.00
Rot. Bonds3

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

6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 110903739) has the molecular formula C9H10BrN5O2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID110903739
Molecular FormulaC9H10BrN5O2
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(O)CNC(=O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C9H10BrN5O2/c1-5(16)2-11-8(17)7-13-9-12-3-6(10)4-15(9)14-7/h3-5,16H,2H2,1H3,(H,11,17)
InChIKeyMYOWLSQJAVWMIP-UHFFFAOYSA-N
XLogP-0.00
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 5-0.00
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-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 110903739) is 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(O)CNC(=O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MYOWLSQJAVWMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2/c1-5(16)2-11-8(17)7-13-9-12-3-6(10)4-15(9)14-7/h3-5,16H,2H2,1H3,(H,11,17).
What are the key properties of 6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 300.12 g/mol, XLogP of -0.00, 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-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 110903739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).