4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H8BrClN6O — CID 80879379

IUPAC4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cc(Br)ccc2Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H8BrClN6O/c13-7-2-3-8(14)9(6-7)21-12-18-10(15)17-11(19-12)20-5-1-4-16-20/h1-6H,(H2,15,17,18,19)
InChIKeyPQDRTNLIDZBVJH-UHFFFAOYSA-N
MW367.59 g/mol
LogP2.85
Rot. Bonds3

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

4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80879379) has the molecular formula C12H8BrClN6O and a molecular weight of 367.59 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80879379
Molecular FormulaC12H8BrClN6O
Molecular Weight367.59 g/mol
Exact Mass365.96
IUPAC Name4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cc(Br)ccc2Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H8BrClN6O/c13-7-2-3-8(14)9(6-7)21-12-18-10(15)17-11(19-12)20-5-1-4-16-20/h1-6H,(H2,15,17,18,19)
InChIKeyPQDRTNLIDZBVJH-UHFFFAOYSA-N
XLogP2.85
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-dibromophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80871198
4-(5-bromo-2-chlorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80878839
4-(5-fluoro-2-methylphenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102988931
2-N-(2,5-dibromophenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80781160
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865388
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80865737
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882074
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80879379) is 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2cc(Br)ccc2Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PQDRTNLIDZBVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN6O/c13-7-2-3-8(14)9(6-7)21-12-18-10(15)17-11(19-12)20-5-1-4-16-20/h1-6H,(H2,15,17,18,19).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 367.59 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).