benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene

C16H13N5 — CID 91897835

IUPACbenzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene
SMILESc1ccc(C/N=N/c2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-10,12H,11H2/b21-19+
InChIKeyUOSGEJKWTFVECY-XUTLUUPISA-N
MW275.32 g/mol
LogP3.82
Rot. Bonds4

About benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene

benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene (PubChem CID 91897835) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene.

Molecular Properties

Compound Namebenzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene
PubChem CID91897835
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Namebenzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene
SMILESc1ccc(C/N=N/c2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-10,12H,11H2/b21-19+
InChIKeyUOSGEJKWTFVECY-XUTLUUPISA-N
XLogP3.82
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene?
The IUPAC name of benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene (CID 91897835) is benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene.
What is the SMILES notation for benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene?
The canonical SMILES for benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene is c1ccc(C/N=N/c2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene?
The InChIKey is UOSGEJKWTFVECY-XUTLUUPISA-N. The full InChI is InChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-10,12H,11H2/b21-19+.
What are the key properties of benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene?
benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene has a molecular weight of 275.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(4-pyridin-3-ylpyrimidin-2-yl)diazene is sourced from PubChem (CID 91897835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).