5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine

C15H11BrClN5 — CID 112965815

IUPAC5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1Nc1nncc(Nc2ccccc2Br)n1
InChIInChI=1S/C15H11BrClN5/c16-10-5-1-3-7-12(10)19-14-9-18-22-15(21-14)20-13-8-4-2-6-11(13)17/h1-9H,(H2,19,20,21,22)
InChIKeySDCPZRAWXNBYPA-UHFFFAOYSA-N
MW376.65 g/mol
LogP4.77
Rot. Bonds4

About 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine

5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965815) has the molecular formula C15H11BrClN5 and a molecular weight of 376.65 g/mol. Its IUPAC name is 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965815
Molecular FormulaC15H11BrClN5
Molecular Weight376.65 g/mol
Exact Mass374.99
IUPAC Name5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1Nc1nncc(Nc2ccccc2Br)n1
InChIInChI=1S/C15H11BrClN5/c16-10-5-1-3-7-12(10)19-14-9-18-22-15(21-14)20-13-8-4-2-6-11(13)17/h1-9H,(H2,19,20,21,22)
InChIKeySDCPZRAWXNBYPA-UHFFFAOYSA-N
XLogP4.77
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.65
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-bromophenyl)-5-N-(3-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966177
3-N-(4-bromo-2-methylphenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965743
3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965741
3-N-(3-bromo-4-methylphenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965707
2-[[3-(2-chloroanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112965838
3-N-(2-chlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965783
3-N-(2-bromophenyl)-5-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963698
3-N-(2-bromophenyl)-5-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950573
5-N-benzyl-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947608
5-N-(2-chlorophenyl)-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963400
5-N-(2-bromophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112969146
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine (CID 112965815) is 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine is Clc1ccccc1Nc1nncc(Nc2ccccc2Br)n1.
What is the InChIKey of 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is SDCPZRAWXNBYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5/c16-10-5-1-3-7-12(10)19-14-9-18-22-15(21-14)20-13-8-4-2-6-11(13)17/h1-9H,(H2,19,20,21,22).
What are the key properties of 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 376.65 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).