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

C17H14N6O — CID 112947490

IUPAC3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESc1coc(CNc2nncc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C17H14N6O/c1-4-12-5-2-8-18-16(12)14(7-1)21-15-11-20-23-17(22-15)19-10-13-6-3-9-24-13/h1-9,11H,10H2,(H2,19,21,22,23)
InChIKeyMAAYUUBQWCMNRQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.37
Rot. Bonds5

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

3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112947490) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112947490
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESc1coc(CNc2nncc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C17H14N6O/c1-4-12-5-2-8-18-16(12)14(7-1)21-15-11-20-23-17(22-15)19-10-13-6-3-9-24-13/h1-9,11H,10H2,(H2,19,21,22,23)
InChIKeyMAAYUUBQWCMNRQ-UHFFFAOYSA-N
XLogP3.37
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112953065
6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112881208
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947481
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112954532
5-N-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969366
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-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165
3-N-(3,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963620
3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947236

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112947490) is 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is c1coc(CNc2nncc(Nc3cccc4cccnc34)n2)c1.
What is the InChIKey of 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is MAAYUUBQWCMNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-4-12-5-2-8-18-16(12)14(7-1)21-15-11-20-23-17(22-15)19-10-13-6-3-9-24-13/h1-9,11H,10H2,(H2,19,21,22,23).
What are the key properties of 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 318.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).