7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine

C14H17N5 — CID 88534723

IUPAC7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
SMILES[C-]#[N+]c1cnn2ccnc2c1NC1CCCCC1C
InChIInChI=1S/C14H17N5/c1-10-5-3-4-6-11(10)18-13-12(15-2)9-17-19-8-7-16-14(13)19/h7-11,18H,3-6H2,1H3
InChIKeyOSUHRVSCZGVIMU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds2

About 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine

7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 88534723) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID88534723
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
SMILES[C-]#[N+]c1cnn2ccnc2c1NC1CCCCC1C
InChIInChI=1S/C14H17N5/c1-10-5-3-4-6-11(10)18-13-12(15-2)9-17-19-8-7-16-14(13)19/h7-11,18H,3-6H2,1H3
InChIKeyOSUHRVSCZGVIMU-UHFFFAOYSA-N
XLogP3.27
TPSA46.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine (CID 88534723) is 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine is [C-]#[N+]c1cnn2ccnc2c1NC1CCCCC1C.
What is the InChIKey of 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is OSUHRVSCZGVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-5-3-4-6-11(10)18-13-12(15-2)9-17-19-8-7-16-14(13)19/h7-11,18H,3-6H2,1H3.
What are the key properties of 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 255.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-N-(2-methylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 88534723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).