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

C18H13FN6 — CID 112969109

IUPAC3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(Nc2nncc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C18H13FN6/c19-13-6-2-7-14(10-13)22-18-24-16(11-21-25-18)23-15-8-1-4-12-5-3-9-20-17(12)15/h1-11H,(H2,22,23,24,25)
InChIKeyBVZQPIGIQVETLL-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.05
Rot. Bonds4

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

3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112969109) has the molecular formula C18H13FN6 and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112969109
Molecular FormulaC18H13FN6
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESFc1cccc(Nc2nncc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C18H13FN6/c19-13-6-2-7-14(10-13)22-18-24-16(11-21-25-18)23-15-8-1-4-12-5-3-9-20-17(12)15/h1-11H,(H2,22,23,24,25)
InChIKeyBVZQPIGIQVETLL-UHFFFAOYSA-N
XLogP4.05
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3-fluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969076
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359
3-N-(3,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963620
3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967432
3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165
5-N-quinolin-8-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964994
4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
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
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969357
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969089

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112969109) is 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is Fc1cccc(Nc2nncc(Nc3cccc4cccnc34)n2)c1.
What is the InChIKey of 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is BVZQPIGIQVETLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6/c19-13-6-2-7-14(10-13)22-18-24-16(11-21-25-18)23-15-8-1-4-12-5-3-9-20-17(12)15/h1-11H,(H2,22,23,24,25).
What are the key properties of 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 332.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112969109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).