3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol

C19H24N6O — CID 59304436

IUPAC3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol
SMILESCc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1cccc(O)c1
InChIInChI=1S/C19H24N6O/c1-12-17(22-15-3-2-4-16(26)11-15)19-21-9-10-25(19)24-18(12)23-14-7-5-13(20)6-8-14/h2-4,9-11,13-14,22,26H,5-8,20H2,1H3,(H,23,24)
InChIKeyFFUQTVMHEOZHDE-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.17
Rot. Bonds4

About 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol

3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol (PubChem CID 59304436) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol
PubChem CID59304436
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol
SMILESCc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1cccc(O)c1
InChIInChI=1S/C19H24N6O/c1-12-17(22-15-3-2-4-16(26)11-15)19-21-9-10-25(19)24-18(12)23-14-7-5-13(20)6-8-14/h2-4,9-11,13-14,22,26H,5-8,20H2,1H3,(H,23,24)
InChIKeyFFUQTVMHEOZHDE-UHFFFAOYSA-N
XLogP3.17
TPSA100.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol?
The IUPAC name of 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol (CID 59304436) is 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol.
What is the SMILES notation for 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol?
The canonical SMILES for 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol is Cc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1cccc(O)c1.
What is the InChIKey of 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol?
The InChIKey is FFUQTVMHEOZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-17(22-15-3-2-4-16(26)11-15)19-21-9-10-25(19)24-18(12)23-14-7-5-13(20)6-8-14/h2-4,9-11,13-14,22,26H,5-8,20H2,1H3,(H,23,24).
What are the key properties of 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol?
3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol has a molecular weight of 352.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(4-aminocyclohexyl)amino]-7-methylimidazo[1,2-b]pyridazin-8-yl]amino]phenol is sourced from PubChem (CID 59304436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).