methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate

C10H9N7O2S — CID 104730112

IUPACmethyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate
SMILESCOC(=O)Cn1nnnc1Sc1nccn2nccc12
InChIInChI=1S/C10H9N7O2S/c1-19-8(18)6-17-10(13-14-15-17)20-9-7-2-3-12-16(7)5-4-11-9/h2-5H,6H2,1H3
InChIKeyHOOOWPPOTPJNSO-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.04
Rot. Bonds4

About methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate

methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate (PubChem CID 104730112) has the molecular formula C10H9N7O2S and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate
PubChem CID104730112
Molecular FormulaC10H9N7O2S
Molecular Weight291.30 g/mol
Exact Mass291.05
IUPAC Namemethyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate
SMILESCOC(=O)Cn1nnnc1Sc1nccn2nccc12
InChIInChI=1S/C10H9N7O2S/c1-19-8(18)6-17-10(13-14-15-17)20-9-7-2-3-12-16(7)5-4-11-9/h2-5H,6H2,1H3
InChIKeyHOOOWPPOTPJNSO-UHFFFAOYSA-N
XLogP0.04
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 2-[5-[(3-bromo-4-pyridinyl)sulfanyl]tetrazol-1-yl]acetate
CID 104776625
methyl 2-[5-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]tetrazol-1-yl]acetate
CID 81141370
methyl 2-[5-(4,6-dimethoxypyrimidin-2-yl)sulfanyltetrazol-1-yl]acetate
CID 115354877
methyl 2-[5-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]acetate
CID 79399591
methyl 2-[5-(4-phenylbutylsulfanyl)tetrazol-1-yl]acetate
CID 114332953
2-[5-[(3-methylsulfonyl-2-pyridinyl)sulfanyl]tetrazol-1-yl]acetic acid
CID 114598465
methyl 2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]acetate
CID 113454057
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
methyl 2-[5-(2-propoxyethylsulfanyl)tetrazol-1-yl]acetate
CID 106449589
2-[5-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]tetrazol-1-yl]acetic acid
CID 107059289
methyl 2-[5-(2-hydroxy-2,3-dimethylbutyl)sulfanyltetrazol-1-yl]acetate
CID 114491446

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate (CID 104730112) is methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate is COC(=O)Cn1nnnc1Sc1nccn2nccc12.
What is the InChIKey of methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate?
The InChIKey is HOOOWPPOTPJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O2S/c1-19-8(18)6-17-10(13-14-15-17)20-9-7-2-3-12-16(7)5-4-11-9/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate?
methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate has a molecular weight of 291.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-pyrazolo[1,5-a]pyrazin-4-ylsulfanyltetrazol-1-yl)acetate is sourced from PubChem (CID 104730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).