cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol

C17H20FN3O2 — CID 167900200

IUPACcis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol
SMILESCc1cc(-c2cccc(F)c2)nnc1NC1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C17H20FN3O2/c1-10-7-14(11-3-2-4-12(18)8-11)20-21-17(10)19-13-5-6-15(22)16(23)9-13/h2-4,7-8,13,15-16,22-23H,5-6,9H2,1H3,(H,19,21)/t13?,15-,16+/m1/s1
InChIKeyFEYHYKXUOBJIDP-CZVYVAOFSA-N
MW317.36 g/mol
LogP2.28
Rot. Bonds3

About cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol

cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol (PubChem CID 167900200) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol
PubChem CID167900200
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Namecis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol
SMILESCc1cc(-c2cccc(F)c2)nnc1NC1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C17H20FN3O2/c1-10-7-14(11-3-2-4-12(18)8-11)20-21-17(10)19-13-5-6-15(22)16(23)9-13/h2-4,7-8,13,15-16,22-23H,5-6,9H2,1H3,(H,19,21)/t13?,15-,16+/m1/s1
InChIKeyFEYHYKXUOBJIDP-CZVYVAOFSA-N
XLogP2.28
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol with MolForge

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Related Compounds

trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol
CID 146146695
N-[1-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperidin-3-yl]acetamide
CID 71862457
6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine
CID 126809435
N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide
CID 167404166
(3aR,6aS)-N-[6-(3-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156899383
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025350
(3aS,6aR)-2-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063274
4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 67221061
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 55035469
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol (CID 167900200) is cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol is Cc1cc(-c2cccc(F)c2)nnc1NC1CC[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol?
The InChIKey is FEYHYKXUOBJIDP-CZVYVAOFSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-10-7-14(11-3-2-4-12(18)8-11)20-21-17(10)19-13-5-6-15(22)16(23)9-13/h2-4,7-8,13,15-16,22-23H,5-6,9H2,1H3,(H,19,21)/t13?,15-,16+/m1/s1.
What are the key properties of cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol?
cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol has a molecular weight of 317.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol is sourced from PubChem (CID 167900200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).