4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine

C9H9N5O2 — CID 166607488

IUPAC4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine
SMILESCc1ncn(-c2cc(C)c([N+](=O)[O-])cn2)n1
InChIInChI=1S/C9H9N5O2/c1-6-3-9(10-4-8(6)14(15)16)13-5-11-7(2)12-13/h3-5H,1-2H3
InChIKeyZNXACGXEZBYGQH-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.19
Rot. Bonds2

About 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine

4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine (PubChem CID 166607488) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine
PubChem CID166607488
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine
SMILESCc1ncn(-c2cc(C)c([N+](=O)[O-])cn2)n1
InChIInChI=1S/C9H9N5O2/c1-6-3-9(10-4-8(6)14(15)16)13-5-11-7(2)12-13/h3-5H,1-2H3
InChIKeyZNXACGXEZBYGQH-UHFFFAOYSA-N
XLogP1.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine?
The IUPAC name of 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine (CID 166607488) is 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine.
What is the SMILES notation for 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine?
The canonical SMILES for 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine is Cc1ncn(-c2cc(C)c([N+](=O)[O-])cn2)n1.
What is the InChIKey of 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine?
The InChIKey is ZNXACGXEZBYGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-3-9(10-4-8(6)14(15)16)13-5-11-7(2)12-13/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine?
4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine has a molecular weight of 219.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine is sourced from PubChem (CID 166607488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).