phenyldiazene;pyrimidine

C10H10N4 — CID 157336996

IUPACphenyldiazene;pyrimidine
SMILES[H]/N=N/c1ccccc1.c1cncnc1
InChIInChI=1S/C6H6N2.C4H4N2/c7-8-6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5,7H;1-4H/b8-7+;
InChIKeyBFYHHKOWONPWMY-USRGLUTNSA-N
MW186.22 g/mol
LogP2.83
Rot. Bonds1

About phenyldiazene;pyrimidine

phenyldiazene;pyrimidine (PubChem CID 157336996) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is phenyldiazene;pyrimidine.

Molecular Properties

Compound Namephenyldiazene;pyrimidine
PubChem CID157336996
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Namephenyldiazene;pyrimidine
SMILES[H]/N=N/c1ccccc1.c1cncnc1
InChIInChI=1S/C6H6N2.C4H4N2/c7-8-6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5,7H;1-4H/b8-7+;
InChIKeyBFYHHKOWONPWMY-USRGLUTNSA-N
XLogP2.83
TPSA61.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of phenyldiazene;pyrimidine?
The IUPAC name of phenyldiazene;pyrimidine (CID 157336996) is phenyldiazene;pyrimidine.
What is the SMILES notation for phenyldiazene;pyrimidine?
The canonical SMILES for phenyldiazene;pyrimidine is [H]/N=N/c1ccccc1.c1cncnc1.
What is the InChIKey of phenyldiazene;pyrimidine?
The InChIKey is BFYHHKOWONPWMY-USRGLUTNSA-N. The full InChI is InChI=1S/C6H6N2.C4H4N2/c7-8-6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5,7H;1-4H/b8-7+;.
What are the key properties of phenyldiazene;pyrimidine?
phenyldiazene;pyrimidine has a molecular weight of 186.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyldiazene;pyrimidine is sourced from PubChem (CID 157336996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).