[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid

C15H18F3N5O2 — CID 66691540

IUPAC[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid
SMILESO=C(O)N(CCC(F)(F)F)c1cc(NC2CCCC2)nn2ccnc12
InChIInChI=1S/C15H18F3N5O2/c16-15(17,18)5-7-22(14(24)25)11-9-12(20-10-3-1-2-4-10)21-23-8-6-19-13(11)23/h6,8-10H,1-5,7H2,(H,20,21)(H,24,25)
InChIKeyJUIMHKPUFMIACB-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.52
Rot. Bonds5

About [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid

[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid (PubChem CID 66691540) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid.

Molecular Properties

Compound Name[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid
PubChem CID66691540
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid
SMILESO=C(O)N(CCC(F)(F)F)c1cc(NC2CCCC2)nn2ccnc12
InChIInChI=1S/C15H18F3N5O2/c16-15(17,18)5-7-22(14(24)25)11-9-12(20-10-3-1-2-4-10)21-23-8-6-19-13(11)23/h6,8-10H,1-5,7H2,(H,20,21)(H,24,25)
InChIKeyJUIMHKPUFMIACB-UHFFFAOYSA-N
XLogP3.52
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

CID 66604142
CID 66604142
CID 66691224
CID 66691224
CID 66695744
CID 66695744
CID 66695746
CID 66695746
CID 87110672
CID 87110672
CID 89802459
CID 89802459
CID 89802462
CID 89802462
CID 118650828
CID 118650828
CID 118650833
CID 118650833
CID 123250050
CID 123250050
CID 123797183
CID 123797183
CID 132013506
CID 132013506

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid?
The IUPAC name of [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid (CID 66691540) is [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid.
What is the SMILES notation for [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid?
The canonical SMILES for [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid is O=C(O)N(CCC(F)(F)F)c1cc(NC2CCCC2)nn2ccnc12.
What is the InChIKey of [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid?
The InChIKey is JUIMHKPUFMIACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c16-15(17,18)5-7-22(14(24)25)11-9-12(20-10-3-1-2-4-10)21-23-8-6-19-13(11)23/h6,8-10H,1-5,7H2,(H,20,21)(H,24,25).
What are the key properties of [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid?
[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid has a molecular weight of 357.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid is sourced from PubChem (CID 66691540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).