[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

C15H24N6 — CID 79961342

IUPAC[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CN3CCN2CC3)nc2c1CCCCC2
InChIInChI=1S/C15H24N6/c16-19-14-11-4-2-1-3-5-12(11)17-15(18-14)13-10-20-6-8-21(13)9-7-20/h13H,1-10,16H2,(H,17,18,19)
InChIKeyLEDBZNQVMQXLEE-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.70
Rot. Bonds2

About [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (PubChem CID 79961342) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
PubChem CID79961342
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CN3CCN2CC3)nc2c1CCCCC2
InChIInChI=1S/C15H24N6/c16-19-14-11-4-2-1-3-5-12(11)17-15(18-14)13-10-20-6-8-21(13)9-7-20/h13H,1-10,16H2,(H,17,18,19)
InChIKeyLEDBZNQVMQXLEE-UHFFFAOYSA-N
XLogP0.70
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (CID 79961342) is [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is NNc1nc(C2CN3CCN2CC3)nc2c1CCCCC2.
What is the InChIKey of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is LEDBZNQVMQXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-19-14-11-4-2-1-3-5-12(11)17-15(18-14)13-10-20-6-8-21(13)9-7-20/h13H,1-10,16H2,(H,17,18,19).
What are the key properties of [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 288.40 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79961342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).