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

C17H14N4O3 — CID 24979615

IUPAC1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1
InChIInChI=1S/C17H14N4O3/c1-24-13-5-2-11(3-6-13)16-17-14-7-4-12(21(22)23)10-15(14)19-20(17)9-8-18-16/h2-7,10H,8-9H2,1H3
InChIKeyLERVUVNFXBLHOU-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.80
Rot. Bonds3

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

1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 24979615) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID24979615
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1
InChIInChI=1S/C17H14N4O3/c1-24-13-5-2-11(3-6-13)16-17-14-7-4-12(21(22)23)10-15(14)19-20(17)9-8-18-16/h2-7,10H,8-9H2,1H3
InChIKeyLERVUVNFXBLHOU-UHFFFAOYSA-N
XLogP2.80
TPSA82.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

Pyrazoloacridine
CID 339455
2-(4-methoxyphenyl)-6-nitro-2H-indazole
CID 622831
2-(2-methoxyphenyl)-4,6-dinitro-2H-indazole
CID 4410945
N,N-Diethyl-9-methoxy-5-nitropyrazolo(3,4,5-kl)acridine-2(6H)-ethanamine
CID 3062800
N,N-Dimethyl-9-methoxy-5-nitropyrazolo(3,4,5-kl)acridine-2(6H)-ethanamine
CID 3062801
N,N-diethyl-2-(4-methoxy-8-methyl-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethanamine
CID 13588232
3-[(4-Methoxyphenyl)methoxy]-5-nitro-1-pentylindazole
CID 51357600
N,N-diethyl-3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)propan-1-amine
CID 135503764
N-ethyl-2-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethanamine
CID 136076418
2-(2-Methoxyphenyl)-6-nitroindazole
CID 671433
4-(4-Methoxy-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24979617
3-[3-(4-Methoxy-benzoyl)-6-nitro-1-oxy-indazol-2-yl]-propyl-ammonium; chloride
CID 24979623

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole (CID 24979615) is 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is LERVUVNFXBLHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-13-5-2-11(3-6-13)16-17-14-7-4-12(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-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 322.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-8-nitro-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 24979615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).