6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol

C20H32N4O — CID 170625219

IUPAC6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol
SMILESCCC(C)CN(CC(C)CC)c1cc(C2=CCCC=C2O)nnc1N
InChIInChI=1S/C20H32N4O/c1-5-14(3)12-24(13-15(4)6-2)18-11-17(22-23-20(18)21)16-9-7-8-10-19(16)25/h9-11,14-15,25H,5-8,12-13H2,1-4H3,(H2,21,23)
InChIKeyCCSNTSFYIRRBER-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.58
Rot. Bonds8

About 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol

6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 170625219) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol
PubChem CID170625219
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol
SMILESCCC(C)CN(CC(C)CC)c1cc(C2=CCCC=C2O)nnc1N
InChIInChI=1S/C20H32N4O/c1-5-14(3)12-24(13-15(4)6-2)18-11-17(22-23-20(18)21)16-9-7-8-10-19(16)25/h9-11,14-15,25H,5-8,12-13H2,1-4H3,(H2,21,23)
InChIKeyCCSNTSFYIRRBER-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol (CID 170625219) is 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol is CCC(C)CN(CC(C)CC)c1cc(C2=CCCC=C2O)nnc1N.
What is the InChIKey of 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is CCSNTSFYIRRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-5-14(3)12-24(13-15(4)6-2)18-11-17(22-23-20(18)21)16-9-7-8-10-19(16)25/h9-11,14-15,25H,5-8,12-13H2,1-4H3,(H2,21,23).
What are the key properties of 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol?
6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 344.50 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-5-[bis(2-methylbutyl)amino]pyridazin-3-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 170625219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).