5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine

C10H10N4O2 — CID 172754083

IUPAC5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine
SMILESCC1=CN(c2ccc([N+](=O)[O-])nc2)CC=N1
InChIInChI=1S/C10H10N4O2/c1-8-7-13(5-4-11-8)9-2-3-10(12-6-9)14(15)16/h2-4,6-7H,5H2,1H3
InChIKeyKTUZFCNFERILMT-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.74
Rot. Bonds2

About 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine

5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine (PubChem CID 172754083) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine.

Molecular Properties

Compound Name5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine
PubChem CID172754083
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine
SMILESCC1=CN(c2ccc([N+](=O)[O-])nc2)CC=N1
InChIInChI=1S/C10H10N4O2/c1-8-7-13(5-4-11-8)9-2-3-10(12-6-9)14(15)16/h2-4,6-7H,5H2,1H3
InChIKeyKTUZFCNFERILMT-UHFFFAOYSA-N
XLogP1.74
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.74
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 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine?
The IUPAC name of 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine (CID 172754083) is 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine.
What is the SMILES notation for 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine?
The canonical SMILES for 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine is CC1=CN(c2ccc([N+](=O)[O-])nc2)CC=N1.
What is the InChIKey of 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine?
The InChIKey is KTUZFCNFERILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-8-7-13(5-4-11-8)9-2-3-10(12-6-9)14(15)16/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine?
5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine has a molecular weight of 218.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-nitro-3-pyridinyl)-2H-pyrazine is sourced from PubChem (CID 172754083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).