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

C15H11BrClN5 — CID 112965741

IUPAC3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1Nc1cnnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H11BrClN5/c16-10-4-3-5-11(8-10)19-15-21-14(9-18-22-15)20-13-7-2-1-6-12(13)17/h1-9H,(H2,19,20,21,22)
InChIKeyUQQRBZBNFGVYCB-UHFFFAOYSA-N
MW376.65 g/mol
LogP4.77
Rot. Bonds4

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

3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112965741) has the molecular formula C15H11BrClN5 and a molecular weight of 376.65 g/mol. Its IUPAC name is 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112965741
Molecular FormulaC15H11BrClN5
Molecular Weight376.65 g/mol
Exact Mass374.99
IUPAC Name3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1Nc1cnnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H11BrClN5/c16-10-4-3-5-11(8-10)19-15-21-14(9-18-22-15)20-13-7-2-1-6-12(13)17/h1-9H,(H2,19,20,21,22)
InChIKeyUQQRBZBNFGVYCB-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-(3-bromo-4-methylphenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965707
3-N-(4-bromo-2-methylphenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965743
5-N-(2-bromophenyl)-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965815
5-N-(2-chlorophenyl)-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963400
3-N-(3-chlorophenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965982
5-N-(4-bromo-2-methylphenyl)-3-N-(3-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965967
5-N-(3-bromophenyl)-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969169
1-[3-[[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968374
1-[3-[[5-(3-chloro-2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112966164
3-N-(2-bromophenyl)-5-N-(3-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966177
2-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112965987
5-N-(3-chlorophenyl)-3-N-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965905

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine (CID 112965741) is 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine is Clc1ccccc1Nc1cnnc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is UQQRBZBNFGVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5/c16-10-4-3-5-11(8-10)19-15-21-14(9-18-22-15)20-13-7-2-1-6-12(13)17/h1-9H,(H2,19,20,21,22).
What are the key properties of 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine?
3-N-(3-bromophenyl)-5-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 3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112965741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).