propan-2-yl(pyridin-2-yl)diazene

C8H11N3 — CID 123501557

IUPACpropan-2-yl(pyridin-2-yl)diazene
SMILESCC(C)/N=N/c1ccccn1
InChIInChI=1S/C8H11N3/c1-7(2)10-11-8-5-3-4-6-9-8/h3-7H,1-2H3/b11-10+
InChIKeyBXKZCMHPSRRFQQ-ZHACJKMWSA-N
MW149.20 g/mol
LogP2.57
Rot. Bonds2

About propan-2-yl(pyridin-2-yl)diazene

propan-2-yl(pyridin-2-yl)diazene (PubChem CID 123501557) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is propan-2-yl(pyridin-2-yl)diazene.

Molecular Properties

Compound Namepropan-2-yl(pyridin-2-yl)diazene
PubChem CID123501557
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Namepropan-2-yl(pyridin-2-yl)diazene
SMILESCC(C)/N=N/c1ccccn1
InChIInChI=1S/C8H11N3/c1-7(2)10-11-8-5-3-4-6-9-8/h3-7H,1-2H3/b11-10+
InChIKeyBXKZCMHPSRRFQQ-ZHACJKMWSA-N
XLogP2.57
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2,6-dichlorophenyl)-pyridin-2-yldiazene
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(2-ethoxyphenyl)-pyridin-2-yldiazene
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(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl(pyridin-2-yl)diazene?
The IUPAC name of propan-2-yl(pyridin-2-yl)diazene (CID 123501557) is propan-2-yl(pyridin-2-yl)diazene.
What is the SMILES notation for propan-2-yl(pyridin-2-yl)diazene?
The canonical SMILES for propan-2-yl(pyridin-2-yl)diazene is CC(C)/N=N/c1ccccn1.
What is the InChIKey of propan-2-yl(pyridin-2-yl)diazene?
The InChIKey is BXKZCMHPSRRFQQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H11N3/c1-7(2)10-11-8-5-3-4-6-9-8/h3-7H,1-2H3/b11-10+.
What are the key properties of propan-2-yl(pyridin-2-yl)diazene?
propan-2-yl(pyridin-2-yl)diazene has a molecular weight of 149.20 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl(pyridin-2-yl)diazene is sourced from PubChem (CID 123501557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).