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

C19H16N6O — CID 112967432

IUPAC3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2nncc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C19H16N6O/c1-26-15-9-7-14(8-10-15)22-19-24-17(12-21-25-19)23-16-6-2-4-13-5-3-11-20-18(13)16/h2-12H,1H3,(H2,22,23,24,25)
InChIKeyOIYHPNRIOXZNKH-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.92
Rot. Bonds5

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

3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112967432) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112967432
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2nncc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C19H16N6O/c1-26-15-9-7-14(8-10-15)22-19-24-17(12-21-25-19)23-16-6-2-4-13-5-3-11-20-18(13)16/h2-12H,1H3,(H2,22,23,24,25)
InChIKeyOIYHPNRIOXZNKH-UHFFFAOYSA-N
XLogP3.92
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-(2,4-dimethoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112968061
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112954532
3-N-(3,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963620
5-N-(2,3-dimethylphenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963838
3-N-(3-fluorophenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969109
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-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967833
5-N-quinolin-8-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964994
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
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-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112967432) is 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is COc1ccc(Nc2nncc(Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is OIYHPNRIOXZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-26-15-9-7-14(8-10-15)22-19-24-17(12-21-25-19)23-16-6-2-4-13-5-3-11-20-18(13)16/h2-12H,1H3,(H2,22,23,24,25).
What are the key properties of 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 344.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).