2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol

C20H25N3O2 — CID 169230474

IUPAC2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(NC3CCCCC3)c3c2CCOC3)c(O)c1
InChIInChI=1S/C20H25N3O2/c1-13-7-8-16(18(24)11-13)19-15-9-10-25-12-17(15)20(23-22-19)21-14-5-3-2-4-6-14/h7-8,11,14,24H,2-6,9-10,12H2,1H3,(H,21,23)
InChIKeyLOUSFFIRMUPGKW-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.97
Rot. Bonds3

About 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol

2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol (PubChem CID 169230474) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol
PubChem CID169230474
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(NC3CCCCC3)c3c2CCOC3)c(O)c1
InChIInChI=1S/C20H25N3O2/c1-13-7-8-16(18(24)11-13)19-15-9-10-25-12-17(15)20(23-22-19)21-14-5-3-2-4-6-14/h7-8,11,14,24H,2-6,9-10,12H2,1H3,(H,21,23)
InChIKeyLOUSFFIRMUPGKW-UHFFFAOYSA-N
XLogP3.97
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol with MolForge

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Related Compounds

2-[4-[[1-(2-methoxyethyl)piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 170166407
5-methoxy-2-[4-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
CID 170163759
5-chloro-2-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
CID 166487686
5-cyclopropyl-2-[4-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
CID 169230497
2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
CID 170163260
2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 167137594
5-ethynyl-2-[4-[[(3R)-oxolan-3-yl]amino]-5,6,7,8-tetrahydrophthalazin-1-yl]phenol
CID 170022173
3-fluoro-2-[1-[[(1R,2R)-2-hydroxycyclohexyl]amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]-5-methylphenol
CID 177071061
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
2-[4-[(3-hydroxy-3-methylcyclobutyl)amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 167137563
2-[6-(furan-2-yl)-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368164
2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol?
The IUPAC name of 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol (CID 169230474) is 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol.
What is the SMILES notation for 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol?
The canonical SMILES for 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol is Cc1ccc(-c2nnc(NC3CCCCC3)c3c2CCOC3)c(O)c1.
What is the InChIKey of 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol?
The InChIKey is LOUSFFIRMUPGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-7-8-16(18(24)11-13)19-15-9-10-25-12-17(15)20(23-22-19)21-14-5-3-2-4-6-14/h7-8,11,14,24H,2-6,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol?
2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol has a molecular weight of 339.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]-5-methylphenol is sourced from PubChem (CID 169230474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).