3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine

C20H16N6O — CID 118488352

IUPAC3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine
SMILESCc1cc(Oc2nccn3cccc23)ccc1-c1c(C)nnc2nccn12
InChIInChI=1S/C20H16N6O/c1-13-12-15(27-19-17-4-3-9-25(17)10-7-21-19)5-6-16(13)18-14(2)23-24-20-22-8-11-26(18)20/h3-12H,1-2H3
InChIKeyUEAUNIJUTVEIMQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.85
Rot. Bonds3

About 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine

3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine (PubChem CID 118488352) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine
PubChem CID118488352
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine
SMILESCc1cc(Oc2nccn3cccc23)ccc1-c1c(C)nnc2nccn12
InChIInChI=1S/C20H16N6O/c1-13-12-15(27-19-17-4-3-9-25(17)10-7-21-19)5-6-16(13)18-14(2)23-24-20-22-8-11-26(18)20/h3-12H,1-2H3
InChIKeyUEAUNIJUTVEIMQ-UHFFFAOYSA-N
XLogP3.85
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine?
The IUPAC name of 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine (CID 118488352) is 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine.
What is the SMILES notation for 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine?
The canonical SMILES for 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine is Cc1cc(Oc2nccn3cccc23)ccc1-c1c(C)nnc2nccn12.
What is the InChIKey of 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine?
The InChIKey is UEAUNIJUTVEIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-13-12-15(27-19-17-4-3-9-25(17)10-7-21-19)5-6-16(13)18-14(2)23-24-20-22-8-11-26(18)20/h3-12H,1-2H3.
What are the key properties of 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine?
3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine has a molecular weight of 356.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[2,1-c][1,2,4]triazine is sourced from PubChem (CID 118488352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).