2-(methoxymethyl)-5-methyltetrazole

C4H8N4O — CID 13351710

IUPAC2-(methoxymethyl)-5-methyltetrazole
SMILESCOCn1nnc(C)n1
InChIInChI=1S/C4H8N4O/c1-4-5-7-8(6-4)3-9-2/h3H2,1-2H3
InChIKeyKGMMFTAOSQGHKE-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.41
Rot. Bonds2

About 2-(methoxymethyl)-5-methyltetrazole

2-(methoxymethyl)-5-methyltetrazole (PubChem CID 13351710) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyltetrazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyltetrazole
PubChem CID13351710
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2-(methoxymethyl)-5-methyltetrazole
SMILESCOCn1nnc(C)n1
InChIInChI=1S/C4H8N4O/c1-4-5-7-8(6-4)3-9-2/h3H2,1-2H3
InChIKeyKGMMFTAOSQGHKE-UHFFFAOYSA-N
XLogP-0.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyltetrazole?
The IUPAC name of 2-(methoxymethyl)-5-methyltetrazole (CID 13351710) is 2-(methoxymethyl)-5-methyltetrazole.
What is the SMILES notation for 2-(methoxymethyl)-5-methyltetrazole?
The canonical SMILES for 2-(methoxymethyl)-5-methyltetrazole is COCn1nnc(C)n1.
What is the InChIKey of 2-(methoxymethyl)-5-methyltetrazole?
The InChIKey is KGMMFTAOSQGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-4-5-7-8(6-4)3-9-2/h3H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-methyltetrazole?
2-(methoxymethyl)-5-methyltetrazole has a molecular weight of 128.13 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyltetrazole is sourced from PubChem (CID 13351710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).