1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea

C5H10N6O — CID 118244827

IUPAC1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea
SMILESCCN(C)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C5H10N6O/c1-3-11(2)5(12)6-4-7-9-10-8-4/h3H2,1-2H3,(H2,6,7,8,9,10,12)
InChIKeyOFISECSOIFUOIN-UHFFFAOYSA-N
MW170.18 g/mol
LogP-0.32
Rot. Bonds2

About 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea

1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea (PubChem CID 118244827) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea
PubChem CID118244827
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea
SMILESCCN(C)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C5H10N6O/c1-3-11(2)5(12)6-4-7-9-10-8-4/h3H2,1-2H3,(H2,6,7,8,9,10,12)
InChIKeyOFISECSOIFUOIN-UHFFFAOYSA-N
XLogP-0.32
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea (CID 118244827) is 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea is CCN(C)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea?
The InChIKey is OFISECSOIFUOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c1-3-11(2)5(12)6-4-7-9-10-8-4/h3H2,1-2H3,(H2,6,7,8,9,10,12).
What are the key properties of 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea?
1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea has a molecular weight of 170.18 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 118244827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).