N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C22H18N6O2 — CID 66583510

IUPACN-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc5cccnc5c4)nccn3n2)cc(OC)c1
InChIInChI=1S/C22H18N6O2/c1-29-17-11-16(12-18(13-17)30-2)25-22-26-21-20(24-8-9-28(21)27-22)15-6-5-14-4-3-7-23-19(14)10-15/h3-13H,1-2H3,(H,25,27)
InChIKeyITPPQOFDUAGKEI-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.10
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 66583510) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID66583510
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC NameN-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc5cccnc5c4)nccn3n2)cc(OC)c1
InChIInChI=1S/C22H18N6O2/c1-29-17-11-16(12-18(13-17)30-2)25-22-26-21-20(24-8-9-28(21)27-22)15-6-5-14-4-3-7-23-19(14)10-15/h3-13H,1-2H3,(H,25,27)
InChIKeyITPPQOFDUAGKEI-UHFFFAOYSA-N
XLogP4.10
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 66583510) is N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is COc1cc(Nc2nc3c(-c4ccc5cccnc5c4)nccn3n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is ITPPQOFDUAGKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c1-29-17-11-16(12-18(13-17)30-2)25-22-26-21-20(24-8-9-28(21)27-22)15-6-5-14-4-3-7-23-19(14)10-15/h3-13H,1-2H3,(H,25,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 398.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 66583510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).