methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate

C5H8N4O3 — CID 86053850

IUPACmethyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(CO)n1
InChIInChI=1S/C5H8N4O3/c1-12-5(11)2-9-7-4(3-10)6-8-9/h10H,2-3H2,1H3
InChIKeyRMXKVXIHOYBXHV-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.66
Rot. Bonds3

About methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate

methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate (PubChem CID 86053850) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate
PubChem CID86053850
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Namemethyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(CO)n1
InChIInChI=1S/C5H8N4O3/c1-12-5(11)2-9-7-4(3-10)6-8-9/h10H,2-3H2,1H3
InChIKeyRMXKVXIHOYBXHV-UHFFFAOYSA-N
XLogP-1.66
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate (CID 86053850) is methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate is COC(=O)Cn1nnc(CO)n1.
What is the InChIKey of methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate?
The InChIKey is RMXKVXIHOYBXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c1-12-5(11)2-9-7-4(3-10)6-8-9/h10H,2-3H2,1H3.
What are the key properties of methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate?
methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate has a molecular weight of 172.14 g/mol, XLogP of -1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(hydroxymethyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 86053850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).