6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine

C19H21ClN4O2 — CID 87110509

IUPAC6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C19H21ClN4O2/c1-12(2)10-21-15-9-17(20)23-24-16(11-22-18(15)24)13-3-5-14(6-4-13)19-25-7-8-26-19/h3-6,9,11-12,19,21H,7-8,10H2,1-2H3
InChIKeyHYFDBKBCUYTXJR-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.16
Rot. Bonds5

About 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 87110509) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID87110509
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C19H21ClN4O2/c1-12(2)10-21-15-9-17(20)23-24-16(11-22-18(15)24)13-3-5-14(6-4-13)19-25-7-8-26-19/h3-6,9,11-12,19,21H,7-8,10H2,1-2H3
InChIKeyHYFDBKBCUYTXJR-UHFFFAOYSA-N
XLogP4.16
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine (CID 87110509) is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine is CC(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is HYFDBKBCUYTXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-12(2)10-21-15-9-17(20)23-24-16(11-22-18(15)24)13-3-5-14(6-4-13)19-25-7-8-26-19/h3-6,9,11-12,19,21H,7-8,10H2,1-2H3.
What are the key properties of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 372.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 87110509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).