2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol

C8H14N4O2S — CID 106931185

IUPAC2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1SCOCC1CC1
InChIInChI=1S/C8H14N4O2S/c13-4-3-12-8(9-10-11-12)15-6-14-5-7-1-2-7/h7,13H,1-6H2
InChIKeyVKZIVYJWVVNBAH-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.14
Rot. Bonds7

About 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol

2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol (PubChem CID 106931185) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol
PubChem CID106931185
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1SCOCC1CC1
InChIInChI=1S/C8H14N4O2S/c13-4-3-12-8(9-10-11-12)15-6-14-5-7-1-2-7/h7,13H,1-6H2
InChIKeyVKZIVYJWVVNBAH-UHFFFAOYSA-N
XLogP0.14
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol (CID 106931185) is 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol is OCCn1nnnc1SCOCC1CC1.
What is the InChIKey of 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol?
The InChIKey is VKZIVYJWVVNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c13-4-3-12-8(9-10-11-12)15-6-14-5-7-1-2-7/h7,13H,1-6H2.
What are the key properties of 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol?
2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol has a molecular weight of 230.29 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethoxymethylsulfanyl)tetrazol-1-yl]ethanol is sourced from PubChem (CID 106931185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).