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

C12H6BrF2N5O — CID 44824610

IUPACN-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1nc2ncccn2n1
InChIInChI=1S/C12H6BrF2N5O/c13-7-4-6(14)5-8(15)9(7)17-11(21)10-18-12-16-2-1-3-20(12)19-10/h1-5H,(H,17,21)
InChIKeyZPYANOQSLVMHRX-UHFFFAOYSA-N
MW354.11 g/mol
LogP2.42
Rot. Bonds2

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

N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824610) has the molecular formula C12H6BrF2N5O and a molecular weight of 354.11 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824610
Molecular FormulaC12H6BrF2N5O
Molecular Weight354.11 g/mol
Exact Mass352.97
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1nc2ncccn2n1
InChIInChI=1S/C12H6BrF2N5O/c13-7-4-6(14)5-8(15)9(7)17-11(21)10-18-12-16-2-1-3-20(12)19-10/h1-5H,(H,17,21)
InChIKeyZPYANOQSLVMHRX-UHFFFAOYSA-N
XLogP2.42
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824572
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169262
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 43237002
N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873
N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824683
N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 23795774
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824594
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583597

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824610) is N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1c(F)cc(F)cc1Br)c1nc2ncccn2n1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZPYANOQSLVMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2N5O/c13-7-4-6(14)5-8(15)9(7)17-11(21)10-18-12-16-2-1-3-20(12)19-10/h1-5H,(H,17,21).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 354.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).