3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine

C17H18N8 — CID 146041307

IUPAC3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine
SMILESCn1cc(-n2nc(C3CCCC3)nc2-c2cnc3cccnn23)cn1
InChIInChI=1S/C17H18N8/c1-23-11-13(9-20-23)24-17(21-16(22-24)12-5-2-3-6-12)14-10-18-15-7-4-8-19-25(14)15/h4,7-12H,2-3,5-6H2,1H3
InChIKeyXXOPBEDDPMESDS-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.37
Rot. Bonds3

About 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine

3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine (PubChem CID 146041307) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine
PubChem CID146041307
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine
SMILESCn1cc(-n2nc(C3CCCC3)nc2-c2cnc3cccnn23)cn1
InChIInChI=1S/C17H18N8/c1-23-11-13(9-20-23)24-17(21-16(22-24)12-5-2-3-6-12)14-10-18-15-7-4-8-19-25(14)15/h4,7-12H,2-3,5-6H2,1H3
InChIKeyXXOPBEDDPMESDS-UHFFFAOYSA-N
XLogP2.37
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine (CID 146041307) is 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine is Cn1cc(-n2nc(C3CCCC3)nc2-c2cnc3cccnn23)cn1.
What is the InChIKey of 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine?
The InChIKey is XXOPBEDDPMESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-23-11-13(9-20-23)24-17(21-16(22-24)12-5-2-3-6-12)14-10-18-15-7-4-8-19-25(14)15/h4,7-12H,2-3,5-6H2,1H3.
What are the key properties of 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine?
3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine has a molecular weight of 334.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 146041307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).