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

C12H9BrClN5 — CID 102918270

IUPACN-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Br)ccc1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H9BrClN5/c1-7-4-8(13)2-3-9(7)17-11-5-10(14)18-12-15-6-16-19(11)12/h2-6,17H,1H3
InChIKeyUMPBZQBOHHXTBP-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.59
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918270) has the molecular formula C12H9BrClN5 and a molecular weight of 338.60 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918270
Molecular FormulaC12H9BrClN5
Molecular Weight338.60 g/mol
Exact Mass336.97
IUPAC NameN-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Br)ccc1Nc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H9BrClN5/c1-7-4-8(13)2-3-9(7)17-11-5-10(14)18-12-15-6-16-19(11)12/h2-6,17H,1H3
InChIKeyUMPBZQBOHHXTBP-UHFFFAOYSA-N
XLogP3.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107637055
5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918288
N-(4-bromo-2-fluorophenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076083
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine
CID 102918485
5-chloro-N-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918776
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
CID 59014098
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
ethyl 4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 59014091
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-benzothiazol-6-amine
CID 107800243
2-[4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]acetonitrile
CID 102918740
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918270) is N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Br)ccc1Nc1cc(Cl)nc2ncnn12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UMPBZQBOHHXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN5/c1-7-4-8(13)2-3-9(7)17-11-5-10(14)18-12-15-6-16-19(11)12/h2-6,17H,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 338.60 g/mol, XLogP of 3.59, 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-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).