N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H9BrFN5 — CID 5309364

IUPACN-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1
InChIInChI=1S/C12H9BrFN5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14/h2-6,18H,1H3
InChIKeyDQHLPZXNXMMAFZ-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.08
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5309364) has the molecular formula C12H9BrFN5 and a molecular weight of 322.14 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5309364
Molecular FormulaC12H9BrFN5
Molecular Weight322.14 g/mol
Exact Mass321.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1
InChIInChI=1S/C12H9BrFN5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14/h2-6,18H,1H3
InChIKeyDQHLPZXNXMMAFZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5309364) is N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DQHLPZXNXMMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-3-2-8(13)5-9(10)14/h2-6,18H,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.14 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5309364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).