[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine

C13H21N5 — CID 80930838

IUPAC[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1N1CCCC2CCCC21
InChIInChI=1S/C13H21N5/c1-9-12(17-14)15-8-16-13(9)18-7-3-5-10-4-2-6-11(10)18/h8,10-11H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyWZVOXXIVMOVTIU-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.84
Rot. Bonds2

About [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine

[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80930838) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80930838
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1N1CCCC2CCCC21
InChIInChI=1S/C13H21N5/c1-9-12(17-14)15-8-16-13(9)18-7-3-5-10-4-2-6-11(10)18/h8,10-11H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyWZVOXXIVMOVTIU-UHFFFAOYSA-N
XLogP1.84
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.84
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'}

Analyze [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine (CID 80930838) is [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1N1CCCC2CCCC21.
What is the InChIKey of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is WZVOXXIVMOVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-12(17-14)15-8-16-13(9)18-7-3-5-10-4-2-6-11(10)18/h8,10-11H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 247.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).