2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol

C22H23N3O2 — CID 137029386

IUPAC2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1O[C@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C22H23N3O2/c23-22-21(14-18(24-25-22)17-11-4-6-12-19(17)26)27-20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-4,6,8-9,11-12,14,16,20,26H,5,7,10,13H2,(H2,23,25)/t16-,20+/m1/s1
InChIKeyGSYORJHMGCDAFW-UZLBHIALSA-N
MW361.45 g/mol
LogP4.54
Rot. Bonds4

About 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol

2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol (PubChem CID 137029386) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol
PubChem CID137029386
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1O[C@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C22H23N3O2/c23-22-21(14-18(24-25-22)17-11-4-6-12-19(17)26)27-20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-4,6,8-9,11-12,14,16,20,26H,5,7,10,13H2,(H2,23,25)/t16-,20+/m1/s1
InChIKeyGSYORJHMGCDAFW-UZLBHIALSA-N
XLogP4.54
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10308614, Example 173
CID 137029363
US10308614, Example 169
CID 137029378
US10308614, Example 177
CID 137029380
US10308614, Example 175
CID 137029382
US10308614, Example 177
CID 137029380
US10308614, Example 179
CID 137029383
US10308614, Example 170
CID 137029385
US10308614, Example 164
CID 137029395
US10308614, Example 172
CID 137029393
US10308614, Example 168
CID 137029399
US10308614, Example 168
CID 137029399
US10308614, Example 176
CID 137029501

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol (CID 137029386) is 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1O[C@H]1CCCC[C@@H]1c1ccccc1.
What is the InChIKey of 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol?
The InChIKey is GSYORJHMGCDAFW-UZLBHIALSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-22-21(14-18(24-25-22)17-11-4-6-12-19(17)26)27-20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-4,6,8-9,11-12,14,16,20,26H,5,7,10,13H2,(H2,23,25)/t16-,20+/m1/s1.
What are the key properties of 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol?
2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol has a molecular weight of 361.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(1S,2R)-2-phenylcyclohexyl]oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137029386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).