[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine

C15H18N4O — CID 102953421

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
SMILESCOc1cc(C(CC2Cc3ccccc32)NN)ncn1
InChIInChI=1S/C15H18N4O/c1-20-15-8-13(17-9-18-15)14(19-16)7-11-6-10-4-2-3-5-12(10)11/h2-5,8-9,11,14,19H,6-7,16H2,1H3
InChIKeyRXIUOIAZKNXYII-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.72
Rot. Bonds5

About [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine (PubChem CID 102953421) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
PubChem CID102953421
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
SMILESCOc1cc(C(CC2Cc3ccccc32)NN)ncn1
InChIInChI=1S/C15H18N4O/c1-20-15-8-13(17-9-18-15)14(19-16)7-11-6-10-4-2-3-5-12(10)11/h2-5,8-9,11,14,19H,6-7,16H2,1H3
InChIKeyRXIUOIAZKNXYII-UHFFFAOYSA-N
XLogP1.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105220072
[2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953246
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203771
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105319301
[1-(6-methoxypyrimidin-4-yl)-4-phenylbutyl]hydrazine
CID 102953393
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105257179
[1-(4-methyl-2-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105219935
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979238
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxypentan-2-yl]hydrazine
CID 105267173

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine (CID 102953421) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine is COc1cc(C(CC2Cc3ccccc32)NN)ncn1.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
The InChIKey is RXIUOIAZKNXYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-15-8-13(17-9-18-15)14(19-16)7-11-6-10-4-2-3-5-12(10)11/h2-5,8-9,11,14,19H,6-7,16H2,1H3.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine has a molecular weight of 270.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine is sourced from PubChem (CID 102953421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).