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

C12H10BrN5 — CID 517728

IUPACN-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Br)cc2)n2ncnc2n1
InChIInChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
InChIKeyVSCXKFCALANVFG-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.94
Rot. Bonds2

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

N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 517728) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID517728
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC NameN-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Br)cc2)n2ncnc2n1
InChIInChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
InChIKeyVSCXKFCALANVFG-UHFFFAOYSA-N
XLogP2.94
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 517728) is N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Br)cc2)n2ncnc2n1.
What is the InChIKey of N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VSCXKFCALANVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3.
What are the key properties of N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 304.15 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 517728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).