2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate

C9H10N4O4 — CID 10220346

IUPAC2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate
SMILESO=C(Cn1nnnc1-c1ccoc1)OCCO
InChIInChI=1S/C9H10N4O4/c14-2-4-17-8(15)5-13-9(10-11-12-13)7-1-3-16-6-7/h1,3,6,14H,2,4-5H2
InChIKeyGJROEAFKMHLHCV-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.53
Rot. Bonds5

About 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate

2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate (PubChem CID 10220346) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate
PubChem CID10220346
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate
SMILESO=C(Cn1nnnc1-c1ccoc1)OCCO
InChIInChI=1S/C9H10N4O4/c14-2-4-17-8(15)5-13-9(10-11-12-13)7-1-3-16-6-7/h1,3,6,14H,2,4-5H2
InChIKeyGJROEAFKMHLHCV-UHFFFAOYSA-N
XLogP-0.53
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate?
The IUPAC name of 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate (CID 10220346) is 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate is O=C(Cn1nnnc1-c1ccoc1)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate?
The InChIKey is GJROEAFKMHLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c14-2-4-17-8(15)5-13-9(10-11-12-13)7-1-3-16-6-7/h1,3,6,14H,2,4-5H2.
What are the key properties of 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate?
2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate has a molecular weight of 238.20 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[5-(furan-3-yl)tetrazol-1-yl]acetate is sourced from PubChem (CID 10220346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).