(8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine

C18H22N6S — CID 1391116

IUPAC(8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine
SMILESNNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3
InChIInChI=1S/C18H22N6S/c19-23-16-15-14(20-10-21-16)13-11-6-2-3-7-12(11)17(22-18(13)25-15)24-8-4-1-5-9-24/h10H,1-9,19H2,(H,20,21,23)
InChIKeyPMIZPXKLIVEMEK-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.39
Rot. Bonds2

About (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine

(8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine (PubChem CID 1391116) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine.

Molecular Properties

Compound Name(8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine
PubChem CID1391116
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name(8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine
SMILESNNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3
InChIInChI=1S/C18H22N6S/c19-23-16-15-14(20-10-21-16)13-11-6-2-3-7-12(11)17(22-18(13)25-15)24-8-4-1-5-9-24/h10H,1-9,19H2,(H,20,21,23)
InChIKeyPMIZPXKLIVEMEK-UHFFFAOYSA-N
XLogP3.39
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine?
The IUPAC name of (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine (CID 1391116) is (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine.
What is the SMILES notation for (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine?
The canonical SMILES for (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine is NNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3.
What is the InChIKey of (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine?
The InChIKey is PMIZPXKLIVEMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c19-23-16-15-14(20-10-21-16)13-11-6-2-3-7-12(11)17(22-18(13)25-15)24-8-4-1-5-9-24/h10H,1-9,19H2,(H,20,21,23).
What are the key properties of (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine?
(8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine has a molecular weight of 354.48 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)hydrazine is sourced from PubChem (CID 1391116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).