[5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane

C13H19N4P — CID 59177877

IUPAC[5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane
SMILESPCc1nc2cnn(CC3CCCCC3)cc-2n1
InChIInChI=1S/C13H19N4P/c18-9-13-15-11-6-14-17(8-12(11)16-13)7-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9,18H2
InChIKeyYFFFZRGERHLAJW-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.73
Rot. Bonds3

About [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane

[5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane (PubChem CID 59177877) has the molecular formula C13H19N4P and a molecular weight of 262.30 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane
PubChem CID59177877
Molecular FormulaC13H19N4P
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name[5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane
SMILESPCc1nc2cnn(CC3CCCCC3)cc-2n1
InChIInChI=1S/C13H19N4P/c18-9-13-15-11-6-14-17(8-12(11)16-13)7-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9,18H2
InChIKeyYFFFZRGERHLAJW-UHFFFAOYSA-N
XLogP2.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane?
The IUPAC name of [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane (CID 59177877) is [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane.
What is the SMILES notation for [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane?
The canonical SMILES for [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane is PCc1nc2cnn(CC3CCCCC3)cc-2n1.
What is the InChIKey of [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane?
The InChIKey is YFFFZRGERHLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N4P/c18-9-13-15-11-6-14-17(8-12(11)16-13)7-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9,18H2.
What are the key properties of [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane?
[5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane has a molecular weight of 262.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)imidazo[4,5-d]pyridazin-2-yl]methylphosphane is sourced from PubChem (CID 59177877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).