trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol

C17H20ClN3O2 — CID 133495474

IUPACtrans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cncc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H20ClN3O2/c18-13-5-3-4-12(8-13)11-23-17-10-19-9-16(21-17)20-14-6-1-2-7-15(14)22/h3-5,8-10,14-15,22H,1-2,6-7,11H2,(H,20,21)/t14-,15-/m0/s1
InChIKeyPCIPFUPFJBRJAR-GJZGRUSLSA-N
MW333.82 g/mol
LogP3.42
Rot. Bonds5

About trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 133495474) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
PubChem CID133495474
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Nametrans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cncc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H20ClN3O2/c18-13-5-3-4-12(8-13)11-23-17-10-19-9-16(21-17)20-14-6-1-2-7-15(14)22/h3-5,8-10,14-15,22H,1-2,6-7,11H2,(H,20,21)/t14-,15-/m0/s1
InChIKeyPCIPFUPFJBRJAR-GJZGRUSLSA-N
XLogP3.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-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

Related Compounds

(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448139
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133405618
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
CID 133381567
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
CID 167949849
2-(pyrazin-2-ylamino)cyclohexan-1-ol
CID 62361109
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
6-ethoxy-N-(2-ethylsulfanylcyclopentyl)pyrazin-2-amine
CID 133378493
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol (CID 133495474) is trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1cncc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is PCIPFUPFJBRJAR-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-13-5-3-4-12(8-13)11-23-17-10-19-9-16(21-17)20-14-6-1-2-7-15(14)22/h3-5,8-10,14-15,22H,1-2,6-7,11H2,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 333.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 133495474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).