5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

C19H23N3O2 — CID 167137940

IUPAC5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(NC2CC(C)(O)C2)nnc1-c1ccc2c(c1O)CCC2
InChIInChI=1S/C19H23N3O2/c1-11-8-16(20-13-9-19(2,24)10-13)21-22-17(11)15-7-6-12-4-3-5-14(12)18(15)23/h6-8,13,23-24H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKeyZWDJUDPLCKSCRO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds3

About 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (PubChem CID 167137940) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
PubChem CID167137940
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(NC2CC(C)(O)C2)nnc1-c1ccc2c(c1O)CCC2
InChIInChI=1S/C19H23N3O2/c1-11-8-16(20-13-9-19(2,24)10-13)21-22-17(11)15-7-6-12-4-3-5-14(12)18(15)23/h6-8,13,23-24H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKeyZWDJUDPLCKSCRO-UHFFFAOYSA-N
XLogP2.97
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 164544830
5-[6-[(1-cyclobutylpiperidin-3-yl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170442079
5-[6-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170444102
5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 170442389
2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-methylpyridin-3-ol
CID 170157128
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
5-ethynyl-2-[4-[(3-hydroxy-3-methylcyclobutyl)amino]-5,6,7,8-tetrahydrophthalazin-1-yl]phenol
CID 175435248
2-[4-[(3-hydroxy-3-methylcyclobutyl)amino]-5,6,7,8-tetrahydrophthalazin-1-yl]-5-(2-methylprop-1-enyl)phenol
CID 170021953
2-[4-[(3-hydroxy-3-methylcyclobutyl)amino]-5,6,7,8-tetrahydrophthalazin-1-yl]-5-[(E)-prop-1-enyl]phenol
CID 170021948
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 172518745
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 170381964
2-[4-[(3-hydroxy-3-methylcyclobutyl)amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 167137563

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (CID 167137940) is 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is Cc1cc(NC2CC(C)(O)C2)nnc1-c1ccc2c(c1O)CCC2.
What is the InChIKey of 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ZWDJUDPLCKSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11-8-16(20-13-9-19(2,24)10-13)21-22-17(11)15-7-6-12-4-3-5-14(12)18(15)23/h6-8,13,23-24H,3-5,9-10H2,1-2H3,(H,20,21).
What are the key properties of 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?
5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 325.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 167137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).