2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine

C12H9N5O2 — CID 67799385

IUPAC2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1cc(-c2nc3cnccn3n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N5O2/c1-8-6-9(2-3-10(8)17(18)19)12-14-11-7-13-4-5-16(11)15-12/h2-7H,1H3
InChIKeyQANBNGHCMLOARB-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.01
Rot. Bonds2

About 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine

2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 67799385) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID67799385
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1cc(-c2nc3cnccn3n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N5O2/c1-8-6-9(2-3-10(8)17(18)19)12-14-11-7-13-4-5-16(11)15-12/h2-7H,1H3
InChIKeyQANBNGHCMLOARB-UHFFFAOYSA-N
XLogP2.01
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.01
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

3-[5-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 43826489
2-[1-ethyl-5-(3-methyl-4-nitrophenyl)-1,2,4-triazol-3-yl]pyridine
CID 159111868
2-(4-methyl-3-nitrophenyl)-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 20646277
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
3-(4-methylphenyl)-4-nitropyridine
CID 70804382
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
6-nitro-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566488
3-(2,4-dichlorophenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CID 19326503
3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
CID 43018544
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 3832219

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 67799385) is 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine is Cc1cc(-c2nc3cnccn3n2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is QANBNGHCMLOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c1-8-6-9(2-3-10(8)17(18)19)12-14-11-7-13-4-5-16(11)15-12/h2-7H,1H3.
What are the key properties of 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 255.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 67799385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).