ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C13H27N3OS — CID 170618264

IUPACethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESC.CC.CSCCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C10H17N3OS.C2H6.CH4/c1-15-5-4-12-2-3-13-10(7-12)6-9(8-14)11-13;1-2;/h6,14H,2-5,7-8H2,1H3;1-2H3;1H4
InChIKeyBZTSQFAZPPWSPT-UHFFFAOYSA-N
MW273.45 g/mol
LogP2.22
Rot. Bonds4

About ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 170618264) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Nameethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID170618264
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Nameethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESC.CC.CSCCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C10H17N3OS.C2H6.CH4/c1-15-5-4-12-2-3-13-10(7-12)6-9(8-14)11-13;1-2;/h6,14H,2-5,7-8H2,1H3;1-2H3;1H4
InChIKeyBZTSQFAZPPWSPT-UHFFFAOYSA-N
XLogP2.22
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 170618264) is ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is C.CC.CSCCN1CCn2nc(CO)cc2C1.
What is the InChIKey of ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is BZTSQFAZPPWSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.C2H6.CH4/c1-15-5-4-12-2-3-13-10(7-12)6-9(8-14)11-13;1-2;/h6,14H,2-5,7-8H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 273.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[5-(2-methylsulfanylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 170618264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).