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

C18H12F2N6 — CID 112969359

IUPAC5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2cnnc(Nc3cccc4cccnc34)n2)c(F)c1
InChIInChI=1S/C18H12F2N6/c19-12-6-7-14(13(20)9-12)23-16-10-22-26-18(25-16)24-15-5-1-3-11-4-2-8-21-17(11)15/h1-10H,(H2,23,24,25,26)
InChIKeyXCMWLHNBRYYTGZ-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.19
Rot. Bonds4

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

5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112969359) has the molecular formula C18H12F2N6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112969359
Molecular FormulaC18H12F2N6
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Name5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESFc1ccc(Nc2cnnc(Nc3cccc4cccnc34)n2)c(F)c1
InChIInChI=1S/C18H12F2N6/c19-12-6-7-14(13(20)9-12)23-16-10-22-26-18(25-16)24-15-5-1-3-11-4-2-8-21-17(11)15/h1-10H,(H2,23,24,25,26)
InChIKeyXCMWLHNBRYYTGZ-UHFFFAOYSA-N
XLogP4.19
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-N-(3-fluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969076
3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969109
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398
4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932073
3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165
5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969366
3-N-(2,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963276
5-N-(3-chloro-2-methylphenyl)-3-N-(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966183
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-(2,4-dimethoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112968061
5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964736

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112969359) is 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is Fc1ccc(Nc2cnnc(Nc3cccc4cccnc34)n2)c(F)c1.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is XCMWLHNBRYYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6/c19-12-6-7-14(13(20)9-12)23-16-10-22-26-18(25-16)24-15-5-1-3-11-4-2-8-21-17(11)15/h1-10H,(H2,23,24,25,26).
What are the key properties of 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 350.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).