7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one

C11H6N6O5 — CID 137234356

IUPAC7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one
SMILESO=c1[nH]cc([N+](=O)[O-])c2c1nnn2-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H6N6O5/c18-11-9-10(8(5-12-11)17(21)22)15(14-13-9)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,12,18)
InChIKeyINCVUEQARZWJBN-UHFFFAOYSA-N
MW302.21 g/mol
LogP0.93
Rot. Bonds3

About 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one

7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one (PubChem CID 137234356) has the molecular formula C11H6N6O5 and a molecular weight of 302.21 g/mol. Its IUPAC name is 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one
PubChem CID137234356
Molecular FormulaC11H6N6O5
Molecular Weight302.21 g/mol
Exact Mass302.04
IUPAC Name7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one
SMILESO=c1[nH]cc([N+](=O)[O-])c2c1nnn2-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H6N6O5/c18-11-9-10(8(5-12-11)17(21)22)15(14-13-9)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,12,18)
InChIKeyINCVUEQARZWJBN-UHFFFAOYSA-N
XLogP0.93
TPSA149.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-amino-1-(4-nitrophenyl)triazole-4-carbonitrile
CID 2748762
5-amino-1-(4-nitrophenyl)triazole-4-carboxylic acid
CID 66524061
6,6-dimethyl-1-(4-nitrophenyl)-5,7-dihydrobenzotriazol-4-one
CID 15004629
3-(4-nitrophenyl)-5-trimethylsilyltriazole-4-carbaldehyde
CID 4577171
4-[5-[1-(4-nitrophenyl)tetrazol-5-yl]tetrazol-1-yl]aniline
CID 57134720
4-(2-nitrophenyl)-1-(4-nitrophenyl)triazole
CID 101463885
4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline
CID 15867137
1-(4-nitrophenyl)-2H-tetrazole-5-thione
CID 141382475
3-methylsulfanyl-1-(4-nitrophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135577997
4-(4,5-dihydro-1H-imidazol-2-yl)-5-(4-methylphenyl)-1-(4-nitrophenyl)triazole
CID 15169142
2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
CID 3054060
4-(4,7-dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)benzoic acid
CID 135420612

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one?
The IUPAC name of 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one (CID 137234356) is 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one is O=c1[nH]cc([N+](=O)[O-])c2c1nnn2-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one?
The InChIKey is INCVUEQARZWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6O5/c18-11-9-10(8(5-12-11)17(21)22)15(14-13-9)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,12,18).
What are the key properties of 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one?
7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one has a molecular weight of 302.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1-(4-nitrophenyl)-5H-triazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 137234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).