cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol

C13H15ClN4O — CID 166376059

IUPACcis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1Nc1nc(Cl)cc2nccnc12
InChIInChI=1S/C13H15ClN4O/c14-11-7-9-12(16-6-5-15-9)13(18-11)17-8-3-1-2-4-10(8)19/h5-8,10,19H,1-4H2,(H,17,18)/t8-,10+/m0/s1
InChIKeyWLQSKPCOYAWDTN-WCBMZHEXSA-N
MW278.74 g/mol
LogP2.39
Rot. Bonds2

About cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol

cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol (PubChem CID 166376059) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol
PubChem CID166376059
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Namecis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1Nc1nc(Cl)cc2nccnc12
InChIInChI=1S/C13H15ClN4O/c14-11-7-9-12(16-6-5-15-9)13(18-11)17-8-3-1-2-4-10(8)19/h5-8,10,19H,1-4H2,(H,17,18)/t8-,10+/m0/s1
InChIKeyWLQSKPCOYAWDTN-WCBMZHEXSA-N
XLogP2.39
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol (CID 166376059) is cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1Nc1nc(Cl)cc2nccnc12.
What is the InChIKey of cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol?
The InChIKey is WLQSKPCOYAWDTN-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-7-9-12(16-6-5-15-9)13(18-11)17-8-3-1-2-4-10(8)19/h5-8,10,19H,1-4H2,(H,17,18)/t8-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol?
cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol has a molecular weight of 278.74 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166376059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).