N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine

C17H16BrN5 — CID 56695089

IUPACN'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccc(Br)cc2)nnc1-c1ccccc1
InChIInChI=1S/C17H16BrN5/c18-14-8-6-13(7-9-14)16-21-17(20-11-10-19)15(22-23-16)12-4-2-1-3-5-12/h1-9H,10-11,19H2,(H,20,21,23)
InChIKeyMJFTXTJZJYCCOL-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.34
Rot. Bonds5

About N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine

N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine (PubChem CID 56695089) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
PubChem CID56695089
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC NameN'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccc(Br)cc2)nnc1-c1ccccc1
InChIInChI=1S/C17H16BrN5/c18-14-8-6-13(7-9-14)16-21-17(20-11-10-19)15(22-23-16)12-4-2-1-3-5-12/h1-9H,10-11,19H2,(H,20,21,23)
InChIKeyMJFTXTJZJYCCOL-UHFFFAOYSA-N
XLogP3.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine (CID 56695089) is N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine is NCCNc1nc(-c2ccc(Br)cc2)nnc1-c1ccccc1.
What is the InChIKey of N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The InChIKey is MJFTXTJZJYCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c18-14-8-6-13(7-9-14)16-21-17(20-11-10-19)15(22-23-16)12-4-2-1-3-5-12/h1-9H,10-11,19H2,(H,20,21,23).
What are the key properties of N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine has a molecular weight of 370.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-bromophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 56695089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).