ethane;2-(2-methoxyethyl)-5-methyltetrazole

C7H16N4O — CID 143574027

IUPACethane;2-(2-methoxyethyl)-5-methyltetrazole
SMILESCC.COCCn1nnc(C)n1
InChIInChI=1S/C5H10N4O.C2H6/c1-5-6-8-9(7-5)3-4-10-2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyUAPVKGVDDCXELU-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.65
Rot. Bonds3

About ethane;2-(2-methoxyethyl)-5-methyltetrazole

ethane;2-(2-methoxyethyl)-5-methyltetrazole (PubChem CID 143574027) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is ethane;2-(2-methoxyethyl)-5-methyltetrazole.

Molecular Properties

Compound Nameethane;2-(2-methoxyethyl)-5-methyltetrazole
PubChem CID143574027
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Nameethane;2-(2-methoxyethyl)-5-methyltetrazole
SMILESCC.COCCn1nnc(C)n1
InChIInChI=1S/C5H10N4O.C2H6/c1-5-6-8-9(7-5)3-4-10-2;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyUAPVKGVDDCXELU-UHFFFAOYSA-N
XLogP0.65
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)methanol
CID 83815002
2-(Methoxymethyl)-5-methyl-2H-tetrazole
CID 13351710
5-(2-Methoxyethyl)-2-methyl-2h-tetrazole
CID 285142
5-(Ethoxymethyl)-2-methyltetrazole
CID 13789304
2-(2-Methoxyethyl)-5-methyltetrazole
CID 57939485
2-(5-Methyltetrazol-2-yl)ethanol
CID 59496883
5-(Methoxymethyl)-2-methyltetrazole
CID 59496889
5-Methyl-2-(oxiran-2-ylmethyl)tetrazole
CID 59986966
5-Ethyl-2-(2-ethylperoxyethyl)tetrazole
CID 88580120
2-(Butoxymethyl)-5-methyltetrazole
CID 89361485
5-Tert-butyl-2-(2-methoxyethyl)tetrazole
CID 89375657
O-[2-(5-methyltetrazol-2-yl)ethyl]hydroxylamine
CID 129117227

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxyethyl)-5-methyltetrazole?
The IUPAC name of ethane;2-(2-methoxyethyl)-5-methyltetrazole (CID 143574027) is ethane;2-(2-methoxyethyl)-5-methyltetrazole.
What is the SMILES notation for ethane;2-(2-methoxyethyl)-5-methyltetrazole?
The canonical SMILES for ethane;2-(2-methoxyethyl)-5-methyltetrazole is CC.COCCn1nnc(C)n1.
What is the InChIKey of ethane;2-(2-methoxyethyl)-5-methyltetrazole?
The InChIKey is UAPVKGVDDCXELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.C2H6/c1-5-6-8-9(7-5)3-4-10-2;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-methoxyethyl)-5-methyltetrazole?
ethane;2-(2-methoxyethyl)-5-methyltetrazole has a molecular weight of 172.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxyethyl)-5-methyltetrazole is sourced from PubChem (CID 143574027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).