[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C15H16N4 — CID 64986048

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2Cc3ccccc32)nc2c1CCC2
InChIInChI=1S/C15H16N4/c16-19-15-11-6-3-7-13(11)17-14(18-15)12-8-9-4-1-2-5-10(9)12/h1-2,4-5,12H,3,6-8,16H2,(H,17,18,19)
InChIKeyMKLGVAWYCHKORI-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.94
Rot. Bonds2

About [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 64986048) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID64986048
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2Cc3ccccc32)nc2c1CCC2
InChIInChI=1S/C15H16N4/c16-19-15-11-6-3-7-13(11)17-14(18-15)12-8-9-4-1-2-5-10(9)12/h1-2,4-5,12H,3,6-8,16H2,(H,17,18,19)
InChIKeyMKLGVAWYCHKORI-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 64986048) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(C2Cc3ccccc32)nc2c1CCC2.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is MKLGVAWYCHKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-19-15-11-6-3-7-13(11)17-14(18-15)12-8-9-4-1-2-5-10(9)12/h1-2,4-5,12H,3,6-8,16H2,(H,17,18,19).
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 252.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 64986048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).