1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea

C7H14N6O2 — CID 118244888

IUPAC1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
SMILESCOCCN(C)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H14N6O2/c1-13(3-4-15-2)7(14)8-5-6-9-11-12-10-6/h3-5H2,1-2H3,(H,8,14)(H,9,10,11,12)
InChIKeyNTDFJFSTMDIALK-UHFFFAOYSA-N
MW214.23 g/mol
LogP-1.01
Rot. Bonds5

About 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea

1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea (PubChem CID 118244888) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
PubChem CID118244888
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea
SMILESCOCCN(C)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C7H14N6O2/c1-13(3-4-15-2)7(14)8-5-6-9-11-12-10-6/h3-5H2,1-2H3,(H,8,14)(H,9,10,11,12)
InChIKeyNTDFJFSTMDIALK-UHFFFAOYSA-N
XLogP-1.01
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea (CID 118244888) is 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea is COCCN(C)C(=O)NCc1nn[nH]n1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
The InChIKey is NTDFJFSTMDIALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O2/c1-13(3-4-15-2)7(14)8-5-6-9-11-12-10-6/h3-5H2,1-2H3,(H,8,14)(H,9,10,11,12).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea?
1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea has a molecular weight of 214.23 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-(2H-tetrazol-5-ylmethyl)urea is sourced from PubChem (CID 118244888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).