cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol

C15H21N5O — CID 129480645

IUPACcis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1[C@H]1CCCN1c1nccn2cnnc12
InChIInChI=1S/C15H21N5O/c21-13-6-2-1-4-11(13)12-5-3-8-20(12)14-15-18-17-10-19(15)9-7-16-14/h7,9-13,21H,1-6,8H2/t11-,12+,13+/m0/s1
InChIKeyBZGXJBSLIKVDAS-YNEHKIRRSA-N
MW287.37 g/mol
LogP1.64
Rot. Bonds2

About cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol

cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129480645) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129480645
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Namecis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1[C@H]1CCCN1c1nccn2cnnc12
InChIInChI=1S/C15H21N5O/c21-13-6-2-1-4-11(13)12-5-3-8-20(12)14-15-18-17-10-19(15)9-7-16-14/h7,9-13,21H,1-6,8H2/t11-,12+,13+/m0/s1
InChIKeyBZGXJBSLIKVDAS-YNEHKIRRSA-N
XLogP1.64
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
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N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
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8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
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8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
8-[(2R)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 125136281
1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone
CID 124885634
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 154799004
8-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218843
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
8-[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218844
8-[5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650671
8-[5-(5-bromopyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 172903289

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 129480645) is cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1[C@H]1CCCN1c1nccn2cnnc12.
What is the InChIKey of cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is BZGXJBSLIKVDAS-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H21N5O/c21-13-6-2-1-4-11(13)12-5-3-8-20(12)14-15-18-17-10-19(15)9-7-16-14/h7,9-13,21H,1-6,8H2/t11-,12+,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129480645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).