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

C14H19N5S — CID 112750686

IUPAC[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc(N2CCCC3CCCC32)c2sccc2n1
InChIInChI=1S/C14H19N5S/c15-18-14-16-10-6-8-20-12(10)13(17-14)19-7-2-4-9-3-1-5-11(9)19/h6,8-9,11H,1-5,7,15H2,(H,16,17,18)
InChIKeyHUEYTMCIKVZPGK-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.75
Rot. Bonds2

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

[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine (PubChem CID 112750686) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
PubChem CID112750686
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc(N2CCCC3CCCC32)c2sccc2n1
InChIInChI=1S/C14H19N5S/c15-18-14-16-10-6-8-20-12(10)13(17-14)19-7-2-4-9-3-1-5-11(9)19/h6,8-9,11H,1-5,7,15H2,(H,16,17,18)
InChIKeyHUEYTMCIKVZPGK-UHFFFAOYSA-N
XLogP2.75
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.75
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 [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine (CID 112750686) is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine is NNc1nc(N2CCCC3CCCC32)c2sccc2n1.
What is the InChIKey of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The InChIKey is HUEYTMCIKVZPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c15-18-14-16-10-6-8-20-12(10)13(17-14)19-7-2-4-9-3-1-5-11(9)19/h6,8-9,11H,1-5,7,15H2,(H,16,17,18).
What are the key properties of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine has a molecular weight of 289.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 112750686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).