(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol

C13H13N3O — CID 133447996

IUPAC(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1Nc1cnccn1
InChIInChI=1S/C13H13N3O/c17-11-7-9-3-1-2-4-10(9)13(11)16-12-8-14-5-6-15-12/h1-6,8,11,13,17H,7H2,(H,15,16)/t11-,13+/m1/s1
InChIKeyIFPBJAIRYKQYOV-YPMHNXCESA-N
MW227.27 g/mol
LogP1.55
Rot. Bonds2

About (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 133447996) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID133447996
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1Nc1cnccn1
InChIInChI=1S/C13H13N3O/c17-11-7-9-3-1-2-4-10(9)13(11)16-12-8-14-5-6-15-12/h1-6,8,11,13,17H,7H2,(H,15,16)/t11-,13+/m1/s1
InChIKeyIFPBJAIRYKQYOV-YPMHNXCESA-N
XLogP1.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
CID 166335295
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747
6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 71980650
(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448139
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
CID 103860604
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-3-ylacetamide
CID 62690720

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol (CID 133447996) is (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2ccccc2[C@@H]1Nc1cnccn1.
What is the InChIKey of (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is IFPBJAIRYKQYOV-YPMHNXCESA-N. The full InChI is InChI=1S/C13H13N3O/c17-11-7-9-3-1-2-4-10(9)13(11)16-12-8-14-5-6-15-12/h1-6,8,11,13,17H,7H2,(H,15,16)/t11-,13+/m1/s1.
What are the key properties of (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 227.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 133447996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).