5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine

C13H10N6O2 — CID 114691050

IUPAC5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C13H10N6O2/c14-12-7-6-10(19(20)21)13(16-12)11-8-15-17-18(11)9-4-2-1-3-5-9/h1-8H,(H2,14,16)
InChIKeyNUISQEFYRGIASD-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.82
Rot. Bonds3

About 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine

5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine (PubChem CID 114691050) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine
PubChem CID114691050
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C13H10N6O2/c14-12-7-6-10(19(20)21)13(16-12)11-8-15-17-18(11)9-4-2-1-3-5-9/h1-8H,(H2,14,16)
InChIKeyNUISQEFYRGIASD-UHFFFAOYSA-N
XLogP1.82
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine (CID 114691050) is 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine is Nc1ccc([N+](=O)[O-])c(-c2cnnn2-c2ccccc2)n1.
What is the InChIKey of 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine?
The InChIKey is NUISQEFYRGIASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c14-12-7-6-10(19(20)21)13(16-12)11-8-15-17-18(11)9-4-2-1-3-5-9/h1-8H,(H2,14,16).
What are the key properties of 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine?
5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine has a molecular weight of 282.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114691050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).