1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole

C17H15N3O — CID 25161741

IUPAC1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4ccccc4c32)cc1
InChIInChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)19-20(17)11-10-18-16/h2-9H,10-11H2,1H3
InChIKeyGMPCCHYBGCHTCN-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.90
Rot. Bonds2

About 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole

1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 25161741) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID25161741
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4ccccc4c32)cc1
InChIInChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)19-20(17)11-10-18-16/h2-9H,10-11H2,1H3
InChIKeyGMPCCHYBGCHTCN-UHFFFAOYSA-N
XLogP2.90
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole (CID 25161741) is 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc(C2=NCCn3nc4ccccc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is GMPCCHYBGCHTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)19-20(17)11-10-18-16/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 277.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 25161741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).