[5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C11H15N5OS — CID 91769065

IUPAC[5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nnc(CN2CCn3nc(CO)cc3C2)s1
InChIInChI=1S/C11H15N5OS/c1-8-12-13-11(18-8)6-15-2-3-16-10(5-15)4-9(7-17)14-16/h4,17H,2-3,5-7H2,1H3
InChIKeyFRHOUPXYUAQELG-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.55
Rot. Bonds3

About [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91769065) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91769065
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nnc(CN2CCn3nc(CO)cc3C2)s1
InChIInChI=1S/C11H15N5OS/c1-8-12-13-11(18-8)6-15-2-3-16-10(5-15)4-9(7-17)14-16/h4,17H,2-3,5-7H2,1H3
InChIKeyFRHOUPXYUAQELG-UHFFFAOYSA-N
XLogP0.55
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 163294937
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CID 170435566
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CID 170618264
CID 170618264
CID 172247634
CID 172247634
CID 176218140
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CID 176218486
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CID 91764592
CID 91764592

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91769065) is [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cc1nnc(CN2CCn3nc(CO)cc3C2)s1.
What is the InChIKey of [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is FRHOUPXYUAQELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-8-12-13-11(18-8)6-15-2-3-16-10(5-15)4-9(7-17)14-16/h4,17H,2-3,5-7H2,1H3.
What are the key properties of [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 265.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91769065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).