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

C17H16BrN5 — CID 112953059

IUPAC5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESBrc1cccc(Nc2cnnc(NCCc3ccccc3)n2)c1
InChIInChI=1S/C17H16BrN5/c18-14-7-4-8-15(11-14)21-16-12-20-23-17(22-16)19-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,21,22,23)
InChIKeyNUWYMAOGFUWPTN-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.03
Rot. Bonds6

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

5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112953059) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112953059
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC Name5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESBrc1cccc(Nc2cnnc(NCCc3ccccc3)n2)c1
InChIInChI=1S/C17H16BrN5/c18-14-7-4-8-15(11-14)21-16-12-20-23-17(22-16)19-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,21,22,23)
InChIKeyNUWYMAOGFUWPTN-UHFFFAOYSA-N
XLogP4.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952987
3-[[3-(2-phenylethylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112953084
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
5-N-(3-bromophenyl)-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943630
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
5-N-(3-bromophenyl)-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939838
3-N-(3-bromo-4-methylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952870
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828
3-N-benzyl-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947826
5-N-(2,3-dimethylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952997
methyl 4-[[3-(2-phenylethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112953044
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961152

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112953059) is 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine is Brc1cccc(Nc2cnnc(NCCc3ccccc3)n2)c1.
What is the InChIKey of 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is NUWYMAOGFUWPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c18-14-7-4-8-15(11-14)21-16-12-20-23-17(22-16)19-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,21,22,23).
What are the key properties of 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine?
5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 370.25 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112953059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).