N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C21H18N6O2S — CID 147547260

IUPACN-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCC1=Nc2cc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)nccn4n3)ccc2C1
InChIInChI=1S/C21H18N6O2S/c1-13-11-15-3-6-16(12-18(15)23-13)24-21-25-20-19(22-9-10-27(20)26-21)14-4-7-17(8-5-14)30(2,28)29/h3-10,12H,11H2,1-2H3,(H,24,26)
InChIKeyFQBPGIBNXWPLGB-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.59
Rot. Bonds4

About N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 147547260) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID147547260
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC NameN-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCC1=Nc2cc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)nccn4n3)ccc2C1
InChIInChI=1S/C21H18N6O2S/c1-13-11-15-3-6-16(12-18(15)23-13)24-21-25-20-19(22-9-10-27(20)26-21)14-4-7-17(8-5-14)30(2,28)29/h3-10,12H,11H2,1-2H3,(H,24,26)
InChIKeyFQBPGIBNXWPLGB-UHFFFAOYSA-N
XLogP3.59
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717
N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide
CID 123915942
2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol
CID 137315533
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
N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 134356629
8-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721683
8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67481528
N-(3,5-dimethoxyphenyl)-8-quinolin-7-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583510
8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929395
N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158460632
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87058900

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 147547260) is N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is CC1=Nc2cc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)nccn4n3)ccc2C1.
What is the InChIKey of N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is FQBPGIBNXWPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-13-11-15-3-6-16(12-18(15)23-13)24-21-25-20-19(22-9-10-27(20)26-21)14-4-7-17(8-5-14)30(2,28)29/h3-10,12H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 147547260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).