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

C20H18N6 — CID 112953065

IUPAC3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2nncc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C20H18N6/c1-2-6-15(7-3-1)11-13-22-20-25-18(14-23-26-20)24-17-10-4-8-16-9-5-12-21-19(16)17/h1-10,12,14H,11,13H2,(H2,22,24,25,26)
InChIKeyRYENPHXAWQKJDQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.82
Rot. Bonds6

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

3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112953065) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112953065
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESc1ccc(CCNc2nncc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C20H18N6/c1-2-6-15(7-3-1)11-13-22-20-25-18(14-23-26-20)24-17-10-4-8-16-9-5-12-21-19(16)17/h1-10,12,14H,11,13H2,(H2,22,24,25,26)
InChIKeyRYENPHXAWQKJDQ-UHFFFAOYSA-N
XLogP3.82
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3-N-[2-(4-methoxyphenyl)ethyl]-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112954532
5-N-(2,3-dimethylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952997
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112947490
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-(2,3-dichlorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969366
5-N-(5-chloro-2-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112953015
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
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952987
5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112953059

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112953065) is 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is c1ccc(CCNc2nncc(Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is RYENPHXAWQKJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-6-15(7-3-1)11-13-22-20-25-18(14-23-26-20)24-17-10-4-8-16-9-5-12-21-19(16)17/h1-10,12,14H,11,13H2,(H2,22,24,25,26).
What are the key properties of 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 342.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112953065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).