2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine

C13H12N6 — CID 59376329

IUPAC2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2cn[nH]c2-c2ccccn2)nc1
InChIInChI=1S/C13H12N6/c14-9-4-5-12(16-7-9)18-11-8-17-19-13(11)10-3-1-2-6-15-10/h1-8H,14H2,(H,16,18)(H,17,19)
InChIKeyWFEZUFBAYDBNEC-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.19
Rot. Bonds3

About 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine

2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine (PubChem CID 59376329) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine
PubChem CID59376329
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine
SMILESNc1ccc(Nc2cn[nH]c2-c2ccccn2)nc1
InChIInChI=1S/C13H12N6/c14-9-4-5-12(16-7-9)18-11-8-17-19-13(11)10-3-1-2-6-15-10/h1-8H,14H2,(H,16,18)(H,17,19)
InChIKeyWFEZUFBAYDBNEC-UHFFFAOYSA-N
XLogP2.19
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

Analyze 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine (CID 59376329) is 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine is Nc1ccc(Nc2cn[nH]c2-c2ccccn2)nc1.
What is the InChIKey of 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine?
The InChIKey is WFEZUFBAYDBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-9-4-5-12(16-7-9)18-11-8-17-19-13(11)10-3-1-2-6-15-10/h1-8H,14H2,(H,16,18)(H,17,19).
What are the key properties of 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine?
2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine has a molecular weight of 252.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 59376329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).