5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine

C18H12Cl2N6 — CID 112969366

IUPAC5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESClc1cccc(Nc2cnnc(Nc3cccc4cccnc34)n2)c1Cl
InChIInChI=1S/C18H12Cl2N6/c19-12-6-2-7-13(16(12)20)23-15-10-22-26-18(25-15)24-14-8-1-4-11-5-3-9-21-17(11)14/h1-10H,(H2,23,24,25,26)
InChIKeyBPPVJEIAODACAR-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.21
Rot. Bonds4

About 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine

5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112969366) has the molecular formula C18H12Cl2N6 and a molecular weight of 383.24 g/mol. Its IUPAC name is 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112969366
Molecular FormulaC18H12Cl2N6
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESClc1cccc(Nc2cnnc(Nc3cccc4cccnc34)n2)c1Cl
InChIInChI=1S/C18H12Cl2N6/c19-12-6-2-7-13(16(12)20)23-15-10-22-26-18(25-15)24-14-8-1-4-11-5-3-9-21-17(11)14/h1-10H,(H2,23,24,25,26)
InChIKeyBPPVJEIAODACAR-UHFFFAOYSA-N
XLogP5.21
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
3-N-(2,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963276
3-N-(3,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963620
3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967833
3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969109
5-N-(3-fluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969076
5-N-quinolin-8-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964994
3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967432
5-N-(2,3-dichlorophenyl)-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969609

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112969366) is 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is Clc1cccc(Nc2cnnc(Nc3cccc4cccnc34)n2)c1Cl.
What is the InChIKey of 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is BPPVJEIAODACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6/c19-12-6-2-7-13(16(12)20)23-15-10-22-26-18(25-15)24-14-8-1-4-11-5-3-9-21-17(11)14/h1-10H,(H2,23,24,25,26).
What are the key properties of 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 383.24 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).