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

C16H12ClN3 — CID 24982222

IUPAC1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESClc1ccc(C2=NCCn3nc4ccccc4c32)cc1
InChIInChI=1S/C16H12ClN3/c17-12-7-5-11(6-8-12)15-16-13-3-1-2-4-14(13)19-20(16)10-9-18-15/h1-8H,9-10H2
InChIKeyANIQJLPBFDQHRL-UHFFFAOYSA-N
MW281.75 g/mol
LogP3.54
Rot. Bonds1

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

1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 24982222) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID24982222
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESClc1ccc(C2=NCCn3nc4ccccc4c32)cc1
InChIInChI=1S/C16H12ClN3/c17-12-7-5-11(6-8-12)15-16-13-3-1-2-4-14(13)19-20(16)10-9-18-15/h1-8H,9-10H2
InChIKeyANIQJLPBFDQHRL-UHFFFAOYSA-N
XLogP3.54
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole (CID 24982222) is 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole is Clc1ccc(C2=NCCn3nc4ccccc4c32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is ANIQJLPBFDQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-12-7-5-11(6-8-12)15-16-13-3-1-2-4-14(13)19-20(16)10-9-18-15/h1-8H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 281.75 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 24982222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).