N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

C18H21N5 — CID 137105530

IUPACN-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESc1ccc2c(c1)N/C(=N\Cc1ccnnc1)C1(CCCCC1)N2
InChIInChI=1S/C18H21N5/c1-4-9-18(10-5-1)17(19-12-14-8-11-20-21-13-14)22-15-6-2-3-7-16(15)23-18/h2-3,6-8,11,13,23H,1,4-5,9-10,12H2,(H,19,22)
InChIKeyJRPOIGCMFPFVFM-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.62
Rot. Bonds2

About N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine

N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (PubChem CID 137105530) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
PubChem CID137105530
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
SMILESc1ccc2c(c1)N/C(=N\Cc1ccnnc1)C1(CCCCC1)N2
InChIInChI=1S/C18H21N5/c1-4-9-18(10-5-1)17(19-12-14-8-11-20-21-13-14)22-15-6-2-3-7-16(15)23-18/h2-3,6-8,11,13,23H,1,4-5,9-10,12H2,(H,19,22)
InChIKeyJRPOIGCMFPFVFM-UHFFFAOYSA-N
XLogP3.62
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine (CID 137105530) is N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is c1ccc2c(c1)N/C(=N\Cc1ccnnc1)C1(CCCCC1)N2.
What is the InChIKey of N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
The InChIKey is JRPOIGCMFPFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-4-9-18(10-5-1)17(19-12-14-8-11-20-21-13-14)22-15-6-2-3-7-16(15)23-18/h2-3,6-8,11,13,23H,1,4-5,9-10,12H2,(H,19,22).
What are the key properties of N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine?
N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine has a molecular weight of 307.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 137105530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).