pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene

C16H12N8 — CID 90842468

IUPACpyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
SMILESc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)nc1
InChIInChI=1S/C16H12N8/c1-2-6-18-14(3-1)24-16-13(10-22-24)15(19-11-20-16)23-21-9-12-4-7-17-8-5-12/h1-8,10-11H,9H2/b23-21+
InChIKeyUZQNCAKKDOHYFX-XTQSDGFTSA-N
MW316.33 g/mol
LogP2.89
Rot. Bonds4

About pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene

pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene (PubChem CID 90842468) has the molecular formula C16H12N8 and a molecular weight of 316.33 g/mol. Its IUPAC name is pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene.

Molecular Properties

Compound Namepyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
PubChem CID90842468
Molecular FormulaC16H12N8
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namepyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
SMILESc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)nc1
InChIInChI=1S/C16H12N8/c1-2-6-18-14(3-1)24-16-13(10-22-24)15(19-11-20-16)23-21-9-12-4-7-17-8-5-12/h1-8,10-11H,9H2/b23-21+
InChIKeyUZQNCAKKDOHYFX-XTQSDGFTSA-N
XLogP2.89
TPSA94.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
The IUPAC name of pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene (CID 90842468) is pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene.
What is the SMILES notation for pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
The canonical SMILES for pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene is c1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)nc1.
What is the InChIKey of pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
The InChIKey is UZQNCAKKDOHYFX-XTQSDGFTSA-N. The full InChI is InChI=1S/C16H12N8/c1-2-6-18-14(3-1)24-16-13(10-22-24)15(19-11-20-16)23-21-9-12-4-7-17-8-5-12/h1-8,10-11H,9H2/b23-21+.
What are the key properties of pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene has a molecular weight of 316.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl-(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene is sourced from PubChem (CID 90842468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).