(4-ethenylpyrimidin-5-yl)diazene

C6H6N4 — CID 163616341

IUPAC(4-ethenylpyrimidin-5-yl)diazene
SMILES[H]/N=N/c1cncnc1C=C
InChIInChI=1S/C6H6N4/c1-2-5-6(10-7)3-8-4-9-5/h2-4,7H,1H2/b10-7+
InChIKeyHKIVUQFCGZLKTL-JXMROGBWSA-N
MW134.14 g/mol
LogP1.78
Rot. Bonds2

About (4-ethenylpyrimidin-5-yl)diazene

(4-ethenylpyrimidin-5-yl)diazene (PubChem CID 163616341) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is (4-ethenylpyrimidin-5-yl)diazene.

Molecular Properties

Compound Name(4-ethenylpyrimidin-5-yl)diazene
PubChem CID163616341
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name(4-ethenylpyrimidin-5-yl)diazene
SMILES[H]/N=N/c1cncnc1C=C
InChIInChI=1S/C6H6N4/c1-2-5-6(10-7)3-8-4-9-5/h2-4,7H,1H2/b10-7+
InChIKeyHKIVUQFCGZLKTL-JXMROGBWSA-N
XLogP1.78
TPSA61.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(4-ethenylpyrimidin-5-yl)ethanethiol
CID 163904160
(4-methanimidoylpyrimidin-5-yl)methanimine
CID 163823387
4-diazenylpyridin-3-ol
CID 175092686
4-ethenylpyrimidine
CID 10285785
5-bromo-4-prop-2-enylpyrimidine
CID 119085370
4-diazenyl-1H-pyrazol-5-amine
CID 135753366
N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine
CID 145188012
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
CID 145322463
5-iodopyrimidine-4-carbaldehyde
CID 71748582
1-(7H-purin-8-yl)prop-2-en-1-ol
CID 66692532
5-bromo-4-chloro-6-ethenylpyrimidine
CID 118153013
pyrimidin-5-ylmethanimine;hydrochloride
CID 175125065

Frequently Asked Questions

What is the IUPAC name of (4-ethenylpyrimidin-5-yl)diazene?
The IUPAC name of (4-ethenylpyrimidin-5-yl)diazene (CID 163616341) is (4-ethenylpyrimidin-5-yl)diazene.
What is the SMILES notation for (4-ethenylpyrimidin-5-yl)diazene?
The canonical SMILES for (4-ethenylpyrimidin-5-yl)diazene is [H]/N=N/c1cncnc1C=C.
What is the InChIKey of (4-ethenylpyrimidin-5-yl)diazene?
The InChIKey is HKIVUQFCGZLKTL-JXMROGBWSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-5-6(10-7)3-8-4-9-5/h2-4,7H,1H2/b10-7+.
What are the key properties of (4-ethenylpyrimidin-5-yl)diazene?
(4-ethenylpyrimidin-5-yl)diazene has a molecular weight of 134.14 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylpyrimidin-5-yl)diazene is sourced from PubChem (CID 163616341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).