8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C20H20N6O2 — CID 66583836

IUPAC8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4cccc(CN)c4)nccn3n2)cc(OC)c1
InChIInChI=1S/C20H20N6O2/c1-27-16-9-15(10-17(11-16)28-2)23-20-24-19-18(22-6-7-26(19)25-20)14-5-3-4-13(8-14)12-21/h3-11H,12,21H2,1-2H3,(H,23,25)
InChIKeyPUVHHCOJGDZRFK-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.01
Rot. Bonds6

About 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 66583836) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID66583836
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4cccc(CN)c4)nccn3n2)cc(OC)c1
InChIInChI=1S/C20H20N6O2/c1-27-16-9-15(10-17(11-16)28-2)23-20-24-19-18(22-6-7-26(19)25-20)14-5-3-4-13(8-14)12-21/h3-11H,12,21H2,1-2H3,(H,23,25)
InChIKeyPUVHHCOJGDZRFK-UHFFFAOYSA-N
XLogP3.01
TPSA99.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583510
N-(4-methoxyphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583390
[2-[2-(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]phenyl] methanesulfonate
CID 56847517
1-(4-tert-butylphenyl)-2-[3-[2-(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2-methylphenyl]ethanone
CID 153050576
N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717
2-N-(3,5-dimethoxyphenyl)-8-N-[3-(dimethylamino)propyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584146
[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
CID 116995305
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
8-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584182
5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472247
2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol
CID 137315533

Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 66583836) is 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is COc1cc(Nc2nc3c(-c4cccc(CN)c4)nccn3n2)cc(OC)c1.
What is the InChIKey of 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is PUVHHCOJGDZRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-27-16-9-15(10-17(11-16)28-2)23-20-24-19-18(22-6-7-26(19)25-20)14-5-3-4-13(8-14)12-21/h3-11H,12,21H2,1-2H3,(H,23,25).
What are the key properties of 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 376.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 66583836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).