1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole

C17H14N4O2 — CID 24979723

IUPAC1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole
SMILESCc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1
InChIInChI=1S/C17H14N4O2/c1-11-2-4-12(5-3-11)16-17-14-7-6-13(21(22)23)10-15(14)19-20(17)9-8-18-16/h2-7,10H,8-9H2,1H3
InChIKeyDGDVKZBYEIGJNP-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole

1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 24979723) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID24979723
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole
SMILESCc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1
InChIInChI=1S/C17H14N4O2/c1-11-2-4-12(5-3-11)16-17-14-7-6-13(21(22)23)10-15(14)19-20(17)9-8-18-16/h2-7,10H,8-9H2,1H3
InChIKeyDGDVKZBYEIGJNP-UHFFFAOYSA-N
XLogP3.10
TPSA73.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole (CID 24979723) is 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole is Cc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is DGDVKZBYEIGJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-2-4-12(5-3-11)16-17-14-7-6-13(21(22)23)10-15(14)19-20(17)9-8-18-16/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 306.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 24979723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).