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

C16H12N8 — CID 91895686

IUPACpyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
SMILESc1cncc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1
InChIInChI=1S/C16H12N8/c1-2-13(9-18-5-1)24-16-14(10-22-24)15(19-11-20-16)23-21-8-12-3-6-17-7-4-12/h1-7,9-11H,8H2/b23-21+
InChIKeyOMMGTFVJCJCJDB-XTQSDGFTSA-N
MW316.33 g/mol
LogP2.89
Rot. Bonds4

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

pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene (PubChem CID 91895686) has the molecular formula C16H12N8 and a molecular weight of 316.33 g/mol. Its IUPAC name is pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene.

Molecular Properties

Compound Namepyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
PubChem CID91895686
Molecular FormulaC16H12N8
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namepyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene
SMILESc1cncc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1
InChIInChI=1S/C16H12N8/c1-2-13(9-18-5-1)24-16-14(10-22-24)15(19-11-20-16)23-21-8-12-3-6-17-7-4-12/h1-7,9-11H,8H2/b23-21+
InChIKeyOMMGTFVJCJCJDB-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-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
The IUPAC name of pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene (CID 91895686) is pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene.
What is the SMILES notation for pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
The canonical SMILES for pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene is c1cncc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1.
What is the InChIKey of pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
The InChIKey is OMMGTFVJCJCJDB-XTQSDGFTSA-N. The full InChI is InChI=1S/C16H12N8/c1-2-13(9-18-5-1)24-16-14(10-22-24)15(19-11-20-16)23-21-8-12-3-6-17-7-4-12/h1-7,9-11H,8H2/b23-21+.
What are the key properties of pyridin-4-ylmethyl-(1-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene?
pyridin-4-ylmethyl-(1-pyridin-3-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-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazene is sourced from PubChem (CID 91895686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).