methyl 2-methyltetrazole-5-carboxylate

C4H6N4O2 — CID 15098928

IUPACmethyl 2-methyltetrazole-5-carboxylate
SMILESCOC(=O)c1nnn(C)n1
InChIInChI=1S/C4H6N4O2/c1-8-6-3(5-7-8)4(9)10-2/h1-2H3
InChIKeyLYKWYPMQIVQQMA-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.00
Rot. Bonds1

About methyl 2-methyltetrazole-5-carboxylate

methyl 2-methyltetrazole-5-carboxylate (PubChem CID 15098928) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is methyl 2-methyltetrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyltetrazole-5-carboxylate
PubChem CID15098928
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Namemethyl 2-methyltetrazole-5-carboxylate
SMILESCOC(=O)c1nnn(C)n1
InChIInChI=1S/C4H6N4O2/c1-8-6-3(5-7-8)4(9)10-2/h1-2H3
InChIKeyLYKWYPMQIVQQMA-UHFFFAOYSA-N
XLogP-1.00
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyltetrazole-5-carboxylate?
The IUPAC name of methyl 2-methyltetrazole-5-carboxylate (CID 15098928) is methyl 2-methyltetrazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyltetrazole-5-carboxylate?
The canonical SMILES for methyl 2-methyltetrazole-5-carboxylate is COC(=O)c1nnn(C)n1.
What is the InChIKey of methyl 2-methyltetrazole-5-carboxylate?
The InChIKey is LYKWYPMQIVQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-8-6-3(5-7-8)4(9)10-2/h1-2H3.
What are the key properties of methyl 2-methyltetrazole-5-carboxylate?
methyl 2-methyltetrazole-5-carboxylate has a molecular weight of 142.12 g/mol, XLogP of -1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyltetrazole-5-carboxylate is sourced from PubChem (CID 15098928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).