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

C21H20N6O — CID 112967833

IUPAC3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Oc1ccccc1Nc1nncc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H20N6O/c1-14(2)28-18-11-4-3-9-16(18)25-21-26-19(13-23-27-21)24-17-10-5-7-15-8-6-12-22-20(15)17/h3-14H,1-2H3,(H2,24,25,26,27)
InChIKeyPOACMAKZEXZZQN-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.69
Rot. Bonds6

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

3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112967833) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
PubChem CID112967833
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Oc1ccccc1Nc1nncc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H20N6O/c1-14(2)28-18-11-4-3-9-16(18)25-21-26-19(13-23-27-21)24-17-10-5-7-15-8-6-12-22-20(15)17/h3-14H,1-2H3,(H2,24,25,26,27)
InChIKeyPOACMAKZEXZZQN-UHFFFAOYSA-N
XLogP4.69
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
3-N-(2-propan-2-ylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112964734
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
3-N-(2,4-dimethoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112968061
5-N-(2-propan-2-yloxyphenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112967777
3-N-quinolin-8-yl-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112968165
3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967432
5-N-(2-propan-2-yloxyphenyl)-3-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964848
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-cyclopentyl-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941742
5-N-(2,4-difluorophenyl)-3-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969359

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine (CID 112967833) is 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is CC(C)Oc1ccccc1Nc1nncc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is POACMAKZEXZZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14(2)28-18-11-4-3-9-16(18)25-21-26-19(13-23-27-21)24-17-10-5-7-15-8-6-12-22-20(15)17/h3-14H,1-2H3,(H2,24,25,26,27).
What are the key properties of 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine?
3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 372.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).