N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H10BrClN6 — CID 62869497

IUPACN-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(Nc2nc(Cl)nc(-n3cccn3)n2)ccc1Br
InChIInChI=1S/C13H10BrClN6/c1-8-7-9(3-4-10(8)14)17-12-18-11(15)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20)
InChIKeyOQXHQYFPUVDQFE-UHFFFAOYSA-N
MW365.62 g/mol
LogP3.53
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62869497) has the molecular formula C13H10BrClN6 and a molecular weight of 365.62 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62869497
Molecular FormulaC13H10BrClN6
Molecular Weight365.62 g/mol
Exact Mass363.98
IUPAC NameN-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(Nc2nc(Cl)nc(-n3cccn3)n2)ccc1Br
InChIInChI=1S/C13H10BrClN6/c1-8-7-9(3-4-10(8)14)17-12-18-11(15)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20)
InChIKeyOQXHQYFPUVDQFE-UHFFFAOYSA-N
XLogP3.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637186
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637029
4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 66355031
4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868809
2-N-(3-bromophenyl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736723
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868993
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80912003

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62869497) is N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1cc(Nc2nc(Cl)nc(-n3cccn3)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OQXHQYFPUVDQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN6/c1-8-7-9(3-4-10(8)14)17-12-18-11(15)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 365.62 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).