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

C17H15Cl2N5 — CID 171981731

IUPACN'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1
InChIInChI=1S/C17H15Cl2N5/c18-12-6-7-13(14(19)10-12)16-22-17(21-9-8-20)15(23-24-16)11-4-2-1-3-5-11/h1-7,10H,8-9,20H2,(H,21,22,24)
InChIKeyCKBZHKNSAYKVIR-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.88
Rot. Bonds5

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

N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine (PubChem CID 171981731) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
PubChem CID171981731
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC NameN'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1
InChIInChI=1S/C17H15Cl2N5/c18-12-6-7-13(14(19)10-12)16-22-17(21-9-8-20)15(23-24-16)11-4-2-1-3-5-11/h1-7,10H,8-9,20H2,(H,21,22,24)
InChIKeyCKBZHKNSAYKVIR-UHFFFAOYSA-N
XLogP3.88
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine with MolForge

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Related Compounds

N'-[3-(4-bromophenyl)-6-(4-chlorophenyl)-1,2,4-triazin-5-yl]ethane-1,2-diamine
CID 171981751
3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
CID 6405156
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626
N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
CID 10126697
(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide
CID 142253434
N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine
CID 22118832
(3,6-diphenyl-1,2,4-triazin-5-yl)hydrazine
CID 6405036
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
CID 24860253
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
CID 170556882
N'-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butyl]-3-(methylamino)prop-2-enimidamide
CID 173480564
[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol
CID 22142936

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine (CID 171981731) is N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine is NCCNc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1.
What is the InChIKey of N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The InChIKey is CKBZHKNSAYKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c18-12-6-7-13(14(19)10-12)16-22-17(21-9-8-20)15(23-24-16)11-4-2-1-3-5-11/h1-7,10H,8-9,20H2,(H,21,22,24).
What are the key properties of N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine has a molecular weight of 360.25 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 171981731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).